SCHEMBL3330164

SCHEMBL3330164

COC(=O)c1cc(OCC(=O)O)c2ccc(C)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ PTGDR2 Q9Y5Y4 2/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ FGFR1 P11362 2/20 0.41
▸ GRM2 Q14416 2/20 0.40
▸ P2RY12 Q9H244 3/20 0.40
▸ APP P05067 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ IAPP P10997 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ SRC P12931 1/20 0.39

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
SCHEMBL3334885 0.89 KDM4E (0.55) KDM4EPTGDR2KCNH2P2RY12
SCHEMBL3330423 0.84 DHODH (0.43) KDM4EALOX15
SCHEMBL3332296 0.80 P2RY12 (0.44) P2RY12
SCHEMBL3330757 0.79 P2RY12 (0.44) P2RY12
SCHEMBL3330765 0.79 P2RY12 (0.44) P2RY12
SCHEMBL3328987 0.78 IRAK4 (0.41) P2RY12
SCHEMBL3638275 0.78 GRM2 (0.40) KDM4EGRM2ALOX15
SCHEMBL2907089 0.77 GRM2 (0.46) KDM4EGRM2
SCHEMBL9381350 0.77 ALOX15 (0.55) KDM4EP2RY12ALOX15
SCHEMBL9383828 0.77 PTGDR (0.48) KDM4EPTGDR2EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 — — US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 — — US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 — — EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 — — 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 (1 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 KDM4E 1525/4885PTGDR2 135/4885KCNH2 157/4885

“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.

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