SCHEMBL2298876

SCHEMBL2298876

O=C(N[C@@H](CO)C(=O)O)c1cc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 8/20 0.54
DGAT1 O75907 2/20 0.54
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TRPV1 Q8NER1 1/20 0.41
LRRK2 Q5S007 1/20 0.41
WNT3A P56704 1/20 0.41
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TNF P01375 1/20 0.40
LMNA P02545 1/20 0.40
NR2F2 P24468 1/20 0.40
HTT P42858 1/20 0.40
MCL1 Q07820 1/20 0.40

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
SCHEMBL2298896 1.00 CSGALNACT1 (0.54) CSGALNACT1DGAT1NPC1RAB9AMAPT
SCHEMBL2298935 0.91 CSGALNACT1 (0.56) CSGALNACT1DGAT1NPC1RAB9AMAPT
SCHEMBL2298917 0.91 CSGALNACT1 (0.56) CSGALNACT1DGAT1NPC1RAB9AMAPT
SCHEMBL2299590 0.91 CSGALNACT1 (0.50) CSGALNACT1DGAT1NPC1RAB9AMAPT
SCHEMBL2299592 0.91 CSGALNACT1 (0.50) CSGALNACT1DGAT1NPC1RAB9AMAPT
SCHEMBL2296847 0.90 CSGALNACT1 (0.53) CSGALNACT1DGAT1NPC1RAB9AMAPT
SCHEMBL2296831 0.90 CSGALNACT1 (0.53) CSGALNACT1DGAT1NPC1RAB9AMAPT
SCHEMBL2296235 0.86 CSGALNACT1 (0.73) CSGALNACT1DGAT1
SCHEMBL2296759 0.86 CSGALNACT1 (0.73) CSGALNACT1DGAT1
SCHEMBL2296251 0.86 CSGALNACT1 (0.73) CSGALNACT1DGAT1

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-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US claimed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US claimed
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US disclosed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 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-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT CSGALNACT1 455/4885DGAT1 1/4885NPC1 436/4885

“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.