SCHEMBL2878482

SCHEMBL2878482

COc1ccc2c(CC(=O)O)csc2c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.57
PPARA Q07869 7/20 0.57
PPARG P37231 3/20 0.57
HSD17B10 Q99714 1/20 0.55
KDM4E B2RXH2 2/20 0.52
LCK P06239 1/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
MTNR1A P48039 3/20 0.49
MTNR1B P49286 3/20 0.49
AKR1C2 P52895 2/20 0.48
PTGS1 P23219 1/20 0.48
AKR1C3 P42330 1/20 0.48

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
SCHEMBL5640485 0.88 ALDH1A1 (0.54) PPARDPPARAPPARGHSD17B10KDM4E
SCHEMBL8884503 0.88 KEAP1 (0.62) PPARDPPARAPPARGHSD17B10KDM4E
SCHEMBL5443958 0.87 MTNR1A (0.48) PPARDPPARAPPARGHSD17B10KDM4E
SCHEMBL1471065 0.85 MTNR1A (0.46) PPARDPPARAPPARGHSD17B10KDM4E
SCHEMBL6839987 0.81 CYP2A6 (0.53) PPARDPPARAPPARGHSD17B10KDM4E
SCHEMBL14564404 0.80 KEAP1 (0.55) PPARDPPARAPPARGKEAP1NFE2L2
SCHEMBL19179568 0.80 PPARD (0.60) PPARDPPARAPPARGHSD17B10KEAP1
SCHEMBL15211492 0.78 PPARD (0.55) PPARDPPARAPPARGKEAP1NFE2L2
SCHEMBL15211307 0.78 PPARD (0.55) PPARDPPARAPPARGHSD17B10KEAP1
SCHEMBL15057380 0.78 KEAP1 (0.56) PPARDPPARAPPARGLCKKEAP1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113825398-A Pyridazinone compounds and herbicides 日产化学株式会社 2021-12-21 CN disclosed
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 US disclosed
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS KANG, XINSHAN (CN) 2016-07-14 US disclosed
EP-2079467-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2015-11-18 EP disclosed
US-7759493-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2010-07-20 US disclosed
US-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2010-04-29 US disclosed
US-20090312303-A1 Antidiabetic Bicyclic Compounds MERCK & CO., INC. (US) 2009-12-17 US disclosed
EP-1846379-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO INC (US) 2009-08-19 EP disclosed
EP-2079467-A2 ANTIDIABETIC BICYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-07-22 EP disclosed
WO-2008054675-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-08 WO disclosed
EP-1846379-A1 ANTIDIABETIC BICYCLIC COMPOUNDS Merck & Co., Inc. (US) 2007-10-24 EP disclosed
WO-2006083781-A1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2006-08-10 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 (3 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-20100105725-A1 ANTIDIABETIC BICYCLIC COMPOUNDS GPR119, FFAR2, GPR65 PPARD 19/4885PPARA 23/4885PPARG 7/4885
US-20160200734-A1 CARBOXYLIC ACID COMPOUNDS IN TREATMENT OF DIABETES MELLITUS GPR119, GLP1R, INSR PPARD 49/4885PPARA 43/4885PPARG 33/4885
US-20090312303-A1 Antidiabetic Bicyclic Compounds GPR119, GPR55, GPR65 PPARD 15/4885PPARA 27/4885PPARG 7/4885

“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.