SCHEMBL161989

SCHEMBL161989

CC(C)C(NC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 1.00
CSGALNACT1 Q8TDX6 1/20 1.00
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
HPGD P15428 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 2/20 0.52
TNF P01375 1/20 0.52
NR2F2 P24468 1/20 0.52
MCL1 Q07820 1/20 0.52
KLF5 Q13887 1/20 0.52
NOD1 Q9Y239 1/20 0.52
LRRK2 Q5S007 2/20 0.51
ALDH1A1 P00352 2/20 0.48

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
SCHEMBL1762062 1.00 DGAT1 (1.00) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761883 0.93 DGAT1 (0.88) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1762128 0.93 DGAT1 (0.88) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761880 0.93 DGAT1 (0.88) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1762199 0.91 DGAT1 (0.83) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761965 0.91 DGAT1 (0.83) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761969 0.91 DGAT1 (0.83) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761653 0.90 DGAT1 (0.82) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761384 0.90 DGAT1 (0.82) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761501 0.89 DGAT1 (0.80) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
EP-2611783-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-07-10 EP disclosed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP disclosed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO disclosed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885CSGALNACT1 750/4885MAPT 137/4885
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT DGAT1 1/4885CSGALNACT1 783/4885MAPT 116/4885

“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.