SCHEMBL2177937

SCHEMBL2177937

O=C(Nc1ccc(-c2ccc3c(c2)C(=O)N([C@H](C(=O)O)c2ccccc2)C3)cc1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 5/20 0.52
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
XIAP P98170 1/20 0.48
HKDC1 Q2TB90 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DGAT1 O75907 5/20 0.48
THRB P10828 2/20 0.47
LMNA P02545 2/20 0.45
NTRK1 P04629 2/20 0.44
NTRK2 Q16620 2/20 0.44

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
SCHEMBL2181343 1.00 KDR (0.52) KDRMAPTMEN1HTTKMT2A
SCHEMBL2181149 0.93 DGAT1 (0.52) KDRMAPTMEN1HTTKMT2A
SCHEMBL2177311 0.93 DGAT1 (0.52) KDRMAPTMEN1HTTKMT2A
SCHEMBL27894526 0.92 KDR (0.49) KDRMAPTMEN1HTTKMT2A
SCHEMBL2181169 0.88 KDR (0.53) KDRMAPTMEN1HTTKMT2A
SCHEMBL2177811 0.88 KDR (0.53) KDRMAPTMEN1HTTKMT2A
SCHEMBL2178373 0.86 KDR (0.52) KDRMAPTMEN1HTTKMT2A
SCHEMBL2178379 0.86 KDR (0.52) KDRMAPTMEN1HTTKMT2A
SCHEMBL2179431 0.86 KDR (0.52) KDRMAPTMEN1HTTKMT2A
SCHEMBL27894531 0.85 DGAT1 (0.51) KDRMAPTMEN1HTTKMT2A

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 10 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 claimed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US claimed
CN-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 CN claimed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP claimed
WO-2011080718-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-07-07 WO claimed
US-8748426-B2 Inhibitors of diacylglycerol acyl transferase Piramal Enterprises Limited (IN) 2014-06-10 US disclosed
US-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Enterprises Limited (IN) 2012-11-15 US disclosed
CN-102781915-A Diacylglycerol acyltransferase inhibitors PIRAMAL LIFE SCIENCES LTD 2012-11-14 CN disclosed
EP-2519500-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE Piramal Healthcare Ltd. (IN) 2012-11-07 EP 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 (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-20120289505-A1 INHIBITORS OF DIACYLGLYCEROL ACYL TRANSFERASE DGAT1, DGAT2, LCAT KDR 4082/4885MAPT 116/4885MEN1 3071/4885

“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.