SCHEMBL6498413

SCHEMBL6498413

CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.63
LMNA P02545 3/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C9 P11712 1/20 0.56
HDAC3 O15379 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
UQCRB P14927 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
TP53 P04637 1/20 0.50
HSD17B2 P37059 1/20 0.49

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
SCHEMBL11511836 0.85 ALDH1A1 (0.83) ALDH1A1LMNASMN1; SMN2CYP2C9KMT2A
SCHEMBL14299193 0.85 CA1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2ALOX15
SCHEMBL23054307 0.82 ALDH1A1 (0.58) ALDH1A1LMNAHTTSMN1; SMN2ALOX15
SCHEMBL23052289 0.81 ALDH1A1 (0.57) ALDH1A1LMNAHTTSMN1; SMN2ALOX15
SCHEMBL28078128 0.80 ALDH1A1 (0.60) ALDH1A1LMNAHTTSMN1; SMN2ALOX15
SCHEMBL4235116 0.80 CYP3A4 (0.64) ALDH1A1LMNAHTTSMN1; SMN2ALOX15
SCHEMBL26212933 0.80 ALDH1A1 (0.60) ALDH1A1LMNAHTTSMN1; SMN2ALOX15
SCHEMBL2054662 0.80 ALDH1A1 (0.64) ALDH1A1LMNAHTTSMN1; SMN2ALOX15
SCHEMBL6926746 0.79 ALDH1A1 (0.73) ALDH1A1HTTSMN1; SMN2HDAC3HDAC8
SCHEMBL10176295 0.79 KMT2A (0.47) ALDH1A1LMNAHTTSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 US disclosed
EP-3177663-B1 A PROCESS FOR PREPARATION OF MODIFIED POLYETHYLENE TERPHTHALATE WITH IMPROVED BARRIER, MECHANICAL AND THERMAL PROPERTIES AND PRODUCTS THEREOF ESTER INDUSTRIES LTD (IN) 2021-04-14 EP disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 US disclosed
EP-3107949-B1 SULFONATED CO-POLYESTERS AND METHOD FOR MANUFACTURING ESTER INDUSTRIES LTD (IN) 2020-07-15 EP disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-24 US disclosed
US-10174162-B2 Process for preparation of modified polyethylene terphthalate with improved barrier, mechanical and thermal properties and products thereof ESTER INDUSTRIES LIMITED (IN) 2019-01-08 US disclosed
US-9856257-B2 Pyrazolonaphthyridinone derivatives as MetAP2 inhibitors (methionine aminopeptidase type-2) SANOFI (FR) 2018-01-02 US disclosed
US-9745415-B2 Sulfonated co-polyesters and method for manufacturing ESTER INDUSTRIES LIMITED (IN) 2017-08-29 US disclosed
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-14 US disclosed
US-7956052-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-07 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-7312209-B2 Acridone inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2005-06-30 US disclosed
WO-2003037271-A2 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS,INC. (US) 2003-05-08 WO 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 (10 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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885LMNA 3535/4885HTT 1153/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885LMNA 3535/4885HTT 1153/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 ALDH1A1 2535/4885LMNA 2078/4885HTT 2063/4885
US-20050143372-A1 Compounds, pharmaceutical compositions and methods of use therefor CCR8, CCL11, CCR5 ALDH1A1 1071/4885LMNA 4603/4885HTT 3786/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885LMNA 3535/4885HTT 1153/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885LMNA 3535/4885HTT 1153/4885
US-20110172229-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885LMNA 3535/4885HTT 1153/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885LMNA 3535/4885HTT 1153/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885LMNA 3535/4885HTT 1153/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 1991/4885LMNA 3485/4885HTT 1028/4885

“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.