SCHEMBL2179012

SCHEMBL2179012

CC(C)C(C(=O)O)N1Cc2cc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)ccc2C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
MAPK14 Q16539 2/20 0.44
SDCBP O00560 3/20 0.43
SDC2 P34741 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
NFKB1 P19838 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL2180073 1.00 NPC1 (0.47) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2178399 0.93 NPC1 (0.47) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2178388 0.93 NPC1 (0.47) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2180081 0.91 LMNA (0.49) TP53LMNATHRBSDCBPSDC2
SCHEMBL2180086 0.91 LMNA (0.49) TP53LMNATHRBSDCBPSDC2
SCHEMBL2180385 0.90 PTPN1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2182200 0.90 PTPN1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2179833 0.89 SDCBP (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2178649 0.89 SDCBP (0.52) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2179339 0.88 DGAT1 (0.52) NPC1RAB9AKMT2AMEN1TP53

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 NPC1 158/4885RAB9A 2039/4885KMT2A 1705/4885

“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.