SCHEMBL10006994

SCHEMBL10006994

Cc1c(C(=O)O)sc2ccc(-c3cncnc3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 3/20 0.50
▸ TBXAS1 P24557 4/20 0.49
▸ RXFP1 Q9HBX9 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41
▸ PRNP P04156 1/20 0.39
▸ DYRK1A Q13627 1/20 0.38
▸ BCL2L1 Q07817 1/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ERN1 O75460 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ AR P10275 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ PFKFB3 Q16875 1/20 0.35

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
SCHEMBL6840354 0.82 GPR35 (0.55) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL1443637 0.80 GPR35 (0.53) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL10007005 0.77 GPR35 (0.49) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL2895952 0.76 GPR35 (0.62) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL31221898 0.75 GPR35 (0.47) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL9757077 0.74 GPR35 (0.65) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL2951733 0.73 RXRA (0.45) GPR35TBXAS1RXFP1PRNPKDM4E
SCHEMBL1066852 0.73 GPR35 (0.58) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL122587 0.73 GPR35 (0.58) GPR35TBXAS1RXFP1PKMNPSR1
SCHEMBL2896475 0.73 GPR35 (0.58) GPR35TBXAS1RXFP1PKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477498-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Schering Corporation (US) 2012-07-25 — — EP disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 — — US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 — — US disclosed
US-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE MERCK SHARP & DOHME CORP. 2012-07-05 — — US disclosed
WO-2011031628-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE SCHERING CORPORATION (US) 2011-03-17 — — 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-20120172369-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE DGAT2, DGAT1, LCAT GPR35 666/4885TBXAS1 474/4885RXFP1 3149/4885

“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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