SCHEMBL17200536

SCHEMBL17200536

COc1cccc(NC(=O)Nc2ccc(-c3ccc4c(c3)CCC(CC(=O)O)C4)cc2)c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.78
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
MCHR1 Q99705 5/20 0.55
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
CNR1 P21554 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
STAT1 P42224 1/20 0.47
HTT P42858 1/20 0.47
CCKBR P32239 1/20 0.46

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
SCHEMBL17200572 0.89 DGAT1 (0.75) DGAT1NPC1RAB9ACASP3SENP7
SCHEMBL17200588 0.88 DGAT1 (0.74) DGAT1MCHR1ITGB3ITGA2B
SCHEMBL14060436 0.88 DGAT1 (1.00) DGAT1NPC1RAB9AMCHR1CNR1
SCHEMBL17200553 0.87 DGAT1 (0.82) DGAT1NPC1RAB9AMCHR1CNR1
SCHEMBL17200593 0.85 DGAT1 (0.82) DGAT1NPC1RAB9AMCHR1CNR1
SCHEMBL17200609 0.85 DGAT1 (0.82) DGAT1NPC1RAB9ACASP3SENP7
SCHEMBL17200564 0.84 DGAT1 (0.83) DGAT1NPC1RAB9AMCHR1CNR1
SCHEMBL17200552 0.84 DGAT1 (0.83) DGAT1NPC1RAB9AMCHR1ITGB3
SCHEMBL17200585 0.83 DGAT1 (0.78) DGAT1RAB9AMCHR1MAPTMEN1
SCHEMBL17200615 0.83 DGAT1 (0.78) DGAT1MCHR1TSHRMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 EP claimed
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 EP disclosed
EP-2723332-B1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2016-03-02 EP disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 US disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 US disclosed
US-9242929-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-01-26 US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 US disclosed
US-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors GlaxoSmith Kline Intellectual Property (No.2) Limited (GB) 2015-10-29 US 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-20150307445-A1 Novel Compounds as Diacylglycerol Acyltransferase Inhibitors DGAT1, DGAT2, LCAT DGAT1 1/4885NPC1 133/4885RAB9A 3131/4885

“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.