SCHEMBL160057

SCHEMBL160057

CC(C)(CCc1ncc(-c2ccc(NC(=O)Nc3ccccc3F)cc2)s1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.54
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HTT P42858 3/20 0.45
POLB P06746 1/20 0.45
KDR P35968 2/20 0.44
TEK Q02763 2/20 0.44
PKM P14618 3/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CNR1 P21554 1/20 0.42
EPHB4 P54760 1/20 0.41

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
SCHEMBL163109 0.93 DGAT1 (0.47) DGAT1NPC1RAB9ASMN1; SMN2HTT
Potassium Ion SCHEMBL162253 0.91 DGAT1 (0.51) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL161621 0.91 DGAT1 (0.51) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL161519 0.91 DGAT1 (0.45) DGAT1NPC1RAB9ASMN1; SMN2KDR
SCHEMBL162408 0.90 DGAT1 (0.44) DGAT1SMN1; SMN2KDRTEKMAPT
SCHEMBL162409 0.90 DGAT1 (0.44) DGAT1SMN1; SMN2KDRTEKMAPT
SCHEMBL161303 0.89 DGAT1 (0.56) DGAT1NPC1RAB9ASMN1; SMN2HTT
SCHEMBL160829 0.89 DGAT1 (0.57) DGAT1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL158731 0.89 DGAT1 (0.54) DGAT1KDRTEKMAPTCNR1
SCHEMBL161031 0.87 DGAT1 (0.42) DGAT1SMN1; SMN2KDRTEKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 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-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS DGAT1, DGAT2, SOAT1 DGAT1 1/4885NPC1 86/4885RAB9A 1781/4885

“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.