SCHEMBL158371

SCHEMBL158371

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.42
ALDH1A1 P00352 7/20 0.40
MAPT P10636 4/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 4/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX12 P18054 1/20 0.39
HPGD P15428 2/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.36
NPC1 O15118 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
PKM P14618 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
SCHEMBL161519 0.91 DGAT1 (0.45) DGAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL161621 0.91 DGAT1 (0.51) DGAT1MAPTKMT2AMEN1RAB9A
SCHEMBL158872 0.90 DGAT1 (0.44) DGAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL160965 0.89 DGAT1 (0.41) DGAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL160964 0.89 DGAT1 (0.41) DGAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL161581 0.86 DGAT1 (0.39) DGAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL161580 0.86 DGAT1 (0.39) DGAT1ALDH1A1MAPTKMT2AMEN1
SCHEMBL160057 0.82 DGAT1 (0.54) DGAT1MAPTKMT2AMEN1RAB9A
SCHEMBL164809 0.81 MAPT (0.42) DGAT1MAPTKMT2AMEN1LMNA
SCHEMBL159998 0.81 DGAT1 (0.52) DGAT1MAPTLMNARAB9ACA1

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 1/4885ALDH1A1 369/4885MAPT 137/4885

“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.