SCHEMBL2180419

SCHEMBL2180419

CC(C)[C@@H](C(=O)O)N1Cc2ccc(-c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)cn3)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.43
SDCBP O00560 2/20 0.42
SDC2 P34741 2/20 0.42
DEGS1 O15121 1/20 0.40
EGFR P00533 3/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
NPY5R Q15761 2/20 0.38
EPHX2 P34913 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.37
VHL P40337 1/20 0.37

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
SCHEMBL2177079 1.00 MAP3K5 (0.43) MAP3K5SDCBPSDC2DEGS1EGFR
SCHEMBL2179228 0.92 MAP3K5 (0.40) MAP3K5SDCBPSDC2DEGS1EGFR
SCHEMBL2182144 0.92 MAP3K5 (0.40) MAP3K5SDCBPSDC2DEGS1EGFR
SCHEMBL2176605 0.90 DEGS1 (0.46) MAP3K5SDCBPSDC2DEGS1EGFR
SCHEMBL2179675 0.88 CHRNB2 (0.39) MAP3K5LMNAMEN1NPC1RAB9A
SCHEMBL2179418 0.88 ABL1 (0.42) MAP3K5THRB
SCHEMBL2181120 0.88 CHRNB2 (0.39) MAP3K5LMNAMEN1NPC1RAB9A
SCHEMBL2179427 0.88 ABL1 (0.42) MAP3K5THRB
SCHEMBL13718837 0.88 PTPN1 (0.47) MAP3K5SDCBPSDC2LMNATHRB
SCHEMBL2177652 0.88 PTPN1 (0.47) MAP3K5SDCBPSDC2LMNATHRB

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 8 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
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
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 MAP3K5 2168/4885SDCBP 2373/4885SDC2 3855/4885

“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.