SCHEMBL162846

SCHEMBL162846

CC(C)(CC(=O)O)Cc1ncc(-c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.48
KDR P35968 1/20 0.48
PTPN1 P18031 7/20 0.48
SCD O00767 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
KCNQ3 O43525 1/20 0.46
KCNQ2 O43526 1/20 0.46
DEGS1 O15121 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
PTPN2 P17706 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
POLB P06746 1/20 0.44
STAT3 P40763 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN11 Q06124 1/20 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
SCHEMBL158331 0.92 DGAT1 (0.58) DGAT1NR1H4TRPV1
SCHEMBL163569 0.91 PTPN1 (0.48) DGAT1KDRPTPN1SCDNR1H4
SCHEMBL162708 0.88 PTPN1 (0.50) DGAT1KDRPTPN1SCDNR1H4
SCHEMBL164624 0.86 TRPV1 (0.47) DGAT1NR1H4TRPV1
SCHEMBL157949 0.85 PTPN1 (0.50) DGAT1KDRPTPN1SCDNR1H4
SCHEMBL161347 0.82 DGAT1 (0.54) DGAT1TRPV1SMN1; SMN2
SCHEMBL162514 0.82 DGAT1 (0.48) DGAT1KDRPTPN1SCDNR1H4
SCHEMBL160748 0.81 DGAT1 (0.57) DGAT1KDRPOLBSMN1; SMN2
SCHEMBL158827 0.80 PTPN1 (0.51) KDRPTPN1SCDNR1H4KCNQ3
SCHEMBL161659 0.79 PTPN1 (0.48) DGAT1KDRPTPN1SCDKCNQ3

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 6 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 claimed
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US claimed
WO-2012029032-A2 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2012-03-08 WO claimed
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 1/4885KDR 4203/4885PTPN1 2557/4885

“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.