SCHEMBL160059

SCHEMBL160059

O=C(Nc1ccc(-c2cnc(C3CCC(C(=O)O)CC3)s2)cc1)Nc1c(F)cccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 12/20 0.53
KDR P35968 3/20 0.41
TEK Q02763 1/20 0.41
BTK Q06187 1/20 0.39
KMT2A Q03164 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CSF1R P07333 2/20 0.38
CNR1 P21554 1/20 0.38
RET P07949 1/20 0.38
FGFR1 P11362 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
FLT3 P36888 1/20 0.38
FRK P42685 1/20 0.38
CAMK2B Q13554 1/20 0.38
CAMK2D Q13557 1/20 0.38
NTRK3 Q16288 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
AURKB Q96GD4 1/20 0.38
BRAF P15056 1/20 0.36

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
SCHEMBL174099 0.92 DGAT1 (0.53) DGAT1BTKTRPV1CSF1RCNR1
SCHEMBL162706 0.92 DGAT1 (0.59) DGAT1KDRKMT2ACNR1FLT3
SCHEMBL165211 0.91 KDR (0.44) DGAT1KDRTEKBTKCSF1R
SCHEMBL159539 0.88 DGAT1 (0.57) DGAT1KDRKMT2ATRPV1CSF1R
SCHEMBL164534 0.84 DGAT1 (0.73) DGAT1KDRTEKKMT2ACNR1
SCHEMBL161973 0.84 DGAT1 (0.69) DGAT1KDRTRPV1CNR1FLT3
SCHEMBL160006 0.83 DGAT1 (0.56) DGAT1KDRTEKKMT2ATRPV1
SCHEMBL158961 0.83 L3MBTL1 (0.46) DGAT1KDRBTKCSF1RCNR1
SCHEMBL163070 0.82 DGAT1 (0.59) DGAT1KDRTEKCNR1FGFR1
SCHEMBL174112 0.82 DGAT1 (0.48) DGAT1KDRTEKBTKKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158075-A1 HETEROCYCLIC COMPOUNDS AS DGAT1 INHIBITORS Piramal Enterprises Limited (IN) 2013-06-20 US 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 4203/4885TEK 3387/4885

“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.