Sugi Predict

Sugi Predict / Compounds / SCHEMBL4457538

SCHEMBL4457538

SCHEMBL4457538

Cc1cc(C)n(C(=O)O)n1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.60
▸ ALDH1A1 P00352 4/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ POLB P06746 1/20 0.56
▸ ENPP3 O14638 5/20 0.55
▸ ALPL P05186 5/20 0.55
▸ XIAP P98170 5/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ LMNA P02545 1/20 0.52
▸ F12 P00748 1/20 0.50
▸ GAA P10253 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
Hydrochloric Acid SCHEMBL11561048 0.98 TSHR (0.58) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL1862337 0.84 TSHR (0.62) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL3739579 0.82 TSHR (0.60) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL5329831 0.80 TSHR (0.58) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL753657 0.80 TSHR (0.58) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28485155 0.78 ALDH1A1 (0.42) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL173908 0.78 ENPP3 (0.42) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28946985 0.78 TSHR (0.56) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL28859303 0.78 ALDH1A1 (0.50) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL24960594 0.77 TSHR (0.55) TSHRALDH1A1MEN1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023020314-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM BATTERY 张家港市国泰华荣化工新材料有限公司 2023-02-23 — — WO claimed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US claimed
JP-4230299-A — — None — — JP disclosed
WO-2023020314-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND LITHIUM BATTERY 张家港市国泰华荣化工新材料有限公司 2023-02-23 — — WO disclosed
CN-100537556-C Anomeric derivatives of monosaccharides ALCHEMIA PTY LTD (AU) 2009-09-09 — — CN disclosed
US-7575818-B2 Organic metal compounds in which compounds for host and compounds for dopant are connected, organic electroluminesence display devices using the compounds and method for preparation of the devices SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2009-08-18 — — US disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 — — US disclosed
US-20090075123-A1 LUBRICANT FOR THIN FILM STORAGE MEDIA SEAGATE TECHNOLOGY LLC (US) 2009-03-19 — — US disclosed
CN-100455568-C 6-position substituted indoline, production and use thereof as medicament BOEHRINGER INGELHEIM PHARMA (DE) 2009-01-28 — — CN disclosed
US-7459415-B1 Lubricant for thin film storage media SEAGATE TECHNOLOGY LLC (US) 2008-12-02 — — US disclosed
CN-1318403-C Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2007-05-30 — — CN disclosed
CN-1642932-A Anomeric derivatives of monosaccharides ALCHEMIA PTY LTD (AU) 2005-07-20 — — CN disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 — — US disclosed
US-6858641-B2 Substituted indolinones BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-02-22 — — US disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 — — US disclosed
US-20030092756-A1 Substituted indolinones BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-05-15 — — US disclosed
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 — — CN disclosed
US-5147882-A Cardiovascular disorders KARL THOMAE GMBH (DE) 1992-09-15 — — US disclosed
JP-H04230299-A NEW PLATELET AGGREGATION INHIBITOR MONSANTO CO 1992-08-19 — — JP disclosed
EP-0328026-A1 Substituted pyrroles F. HOFFMANN-LA ROCHE AG (CH) 1989-08-16 — — EP 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 (2 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-20030092756-A1 Substituted indolinones CDK1, CDK2, CDKL1 TSHR 1464/4885ALDH1A1 1526/4885MEN1 2916/4885
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 TSHR 966/4885ALDH1A1 2387/4885MEN1 1664/4885

“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.