SCHEMBL684797

SCHEMBL684797

CC(C)C(=O)OC(C)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ELANE P08246 1/20 0.32
ALOX15 P16050 1/20 0.31
CA12 O43570 1/20 0.30
CA14 Q9ULX7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16840158 1.00 TSHR (0.35) TSHRSMN1; SMN2ELANEALOX15CA12
SCHEMBL16840157 1.00 TSHR (0.35) TSHRSMN1; SMN2ELANEALOX15CA12
SCHEMBL14420243 0.83 SLC7A5 (0.36) TSHRSMN1; SMN2
SCHEMBL18068907 0.83 SLC7A5 (0.36) TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL28011474 0.81 SLC7A5 (0.35) TSHRSMN1; SMN2
SCHEMBL21887322 0.81
SCHEMBL2989928 0.80 TSHR (0.33) TSHRELANE
SCHEMBL26739676 0.80 TP53 (0.38) TSHRSMN1; SMN2
SCHEMBL2989930 0.80 TSHR (0.33) TSHRELANE
SCHEMBL13704771 0.78 TSHR (0.32) TSHRELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 114 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357207-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS BCP3 PTY LIMITED (AU) 2023-11-09 US disclosed
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2023-05-18 US disclosed
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS Shanghai MICURX Pharmaceuticals Co., Ltd. (CN) 2023-05-11 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-11340528-B2 Production method of composition for resist top coat layer, method of forming resist pattern, production method of fluorine-containing resin, and method of improving water repellency of resist top coat layer JSR CORPORATION (JP) 2022-05-24 US disclosed
US-11198673-B2 Therapeutic compounds and compositions EXITHERA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20210181630-A1 PRODUCTION METHOD OF COMPOSITION FOR RESIST TOP COAT LAYER, METHOD OF FORMING RESIST PATTERN, PRODUCTION METHOD OF FLUORINE-CONTAINING RESIN, AND METHOD OF IMPROVING WATER REPELLENCY OF RESIST TOP COAT LAYER JSR CORPORATION (JP) 2021-06-17 US disclosed
CN-112334568-A Isobutyrate compounds having propionyloxy group at alpha position, fragrance compositions and use as fragrance 三菱瓦斯化学株式会社 2021-02-05 CN disclosed
US-10040787-B2 Prodrugs of NH-acidic compounds ALKERMES PHARMA IRELAND LIMITED (IE) 2018-08-07 US disclosed
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders ALKERMES PHARMA IRELAND LIMITED (IE) 2018-07-17 US disclosed
US-20100112037-A1 S1P RECEPTOR AGONISTS FOR THE TREATMENT OF CEREBRAL MALARIA LEXICON PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-21 US disclosed
US-20100009936-A1 CHEMICAL COMPOUNDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2010-01-14 US disclosed
US-20090318389-A1 AGONISTS OF THE SPHINGOSINE-1 PHOSPHATE RECEPTOR PRAECIS PHARMACEUTICALS INCORPORATED (US) 2009-12-24 US disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 US disclosed
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-04-24 US disclosed
US-20080070866-A1 Chemical compounds PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS INCORPORATED (US) 2008-03-13 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed
US-7241812-B2 Methods and compositions for modulating sphingosine-1-phosphate (S1P) receptor activity PRAECIS PHARMACEUTICALS, INC. (US) 2007-07-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080064662-A1 Methods and compositions for modulating sphingosine -1- phosphate (S1P) receptor activity S1PR1, S1PR2, S1PR3 TSHR 642/4885SMN1; SMN2 1924/4885ELANE 2291/4885
US-10023537-B2 Heterocyclic compounds for the treatment of neurological and psychological disorders GABBR1, GABBR2, GABRE TSHR 1280/4885SMN1; SMN2 673/4885ELANE 4084/4885
US-10040787-B2 Prodrugs of NH-acidic compounds SI, NAAA, NIT2 TSHR 3738/4885SMN1; SMN2 606/4885ELANE 130/4885
US-20100112037-A1 S1P RECEPTOR AGONISTS FOR THE TREATMENT OF CEREBRAL MALARIA S1PR1, S1PR2, S1PR3 TSHR 839/4885SMN1; SMN2 2350/4885ELANE 1582/4885
US-11198673-B2 Therapeutic compounds and compositions KLK5, KLKB1, KLK2 TSHR 4208/4885SMN1; SMN2 4040/4885ELANE 57/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 TSHR 1934/4885SMN1; SMN2 2790/4885ELANE 1720/4885
US-20230150941-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS GABBR1, GABBR2, GABRE TSHR 1280/4885SMN1; SMN2 673/4885ELANE 4084/4885
US-20100016260-A1 AGONISTS OF SPHINGOSINE-1 PHOSPHATE RECEPTOR (SLP) S1PR1, S1PR2, S1PR5 TSHR 153/4885SMN1; SMN2 1302/4885ELANE 2707/4885
US-20090318389-A1 AGONISTS OF THE SPHINGOSINE-1 PHOSPHATE RECEPTOR S1PR1, S1PR3, S1PR5 TSHR 138/4885SMN1; SMN2 1622/4885ELANE 3051/4885
US-20080096938-A1 Immunosuppressants for autoimmune diseases such as multiple sclerosis, transplant rejection; sphingosine-1-phosphate (S1P) receptor agonists; (S)-2-Amino-2-(5-(4-(2-(pentyloxy)ethoxy)-3-(trifluoromethyl)phenyl)-1,3,4-thiadiazol-2-yl)propyl dihydrogen phosphate for example S1PR1, S1PR2, S1PR5 TSHR 242/4885SMN1; SMN2 2847/4885ELANE 3657/4885
US-20080070866-A1 Chemical compounds S1PR1, S1PR2, S1PR5 TSHR 818/4885SMN1; SMN2 4481/4885ELANE 2099/4885
US-20230357207-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS MUC1, MPO, SERPINB1 TSHR 1561/4885SMN1; SMN2 4712/4885ELANE 6/4885
US-20230141981-A1 NOVEL COMPOUNDS AND COMPOSITION FOR TARGETED THERAPY OF KIDNEY-ASSOCIATED CANCERS GLS, ATP6V1B1, KRAS TSHR 4421/4885SMN1; SMN2 4686/4885ELANE 2822/4885
US-20100009936-A1 CHEMICAL COMPOUNDS CD4, ICOS, NFATC1 TSHR 228/4885SMN1; SMN2 3973/4885ELANE 934/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.