SCHEMBL3897173

SCHEMBL3897173

CC1=C(C(=O)O)C(c2ccc(Cl)cc2)CC(=O)N1C

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 17/20 0.74
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3885724 0.85 GPBAR1 (1.00) GPBAR1KDM4EHPGDNPSR1
SCHEMBL17478234 0.83 GPBAR1 (0.70) GPBAR1
SCHEMBL17478165 0.82 GPBAR1 (0.73) GPBAR1
SCHEMBL17478231 0.82 GPBAR1 (0.52) GPBAR1
SCHEMBL7930713 0.82 ADRA1A (0.55) GPBAR1NPSR1TSHRKMT2A
SCHEMBL3888065 0.82 GPBAR1 (0.52) GPBAR1TSHRKMT2A
SCHEMBL7930709 0.82 ADRA1A (0.55) GPBAR1NPSR1TSHRKMT2A
SCHEMBL17478236 0.82 GPBAR1 (0.55) GPBAR1TSHRKMT2A
SCHEMBL17478252 0.81 GPBAR1 (0.55) GPBAR1TSHRKMT2A
SCHEMBL17478316 0.81 GPBAR1 (0.71) GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-9932309-B2 2-oxo-3,4-dihydropyridine-5-carboxylates and their use UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2018-04-03 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-07-27 US disclosed
EP-3174872-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE Université de Lille 2 Droit et Santé (FR) 2017-06-07 EP disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 WO disclosed
WO-2016016238-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2016-02-04 WO disclosed
US-7592357-B2 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
EP-1718638-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-22 EP disclosed
US-20080058384-A1 Novel Compounds GLAXOSMITHKLINE LLC 2008-03-06 US disclosed
EP-1718638-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082890-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 (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-20080058384-A1 Novel Compounds ARHGDIB, TNK2, ROCK2 GPBAR1 2826/4885KDM4E 2472/4885HPGD 1637/4885
US-20170210710-A1 2-OXO-3,4-DIHYDROPYRIDINE-5-CARBOXYLATES AND THEIR USE CYP3A5, CYP2D6, QDPR GPBAR1 1068/4885KDM4E 853/4885HPGD 342/4885

“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.