SCHEMBL162102

SCHEMBL162102

COC(=O)C12CC3CC(C1)CC(c1ncc(-c4ccc(NC(=O)Nc5ccccc5F)cc4)s1)(C3)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.52
▸ DGAT1 O75907 7/20 0.49
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ NFKB1 P19838 2/20 0.42
▸ NFKB2 Q00653 2/20 0.42
▸ RELA Q04206 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ KDR P35968 2/20 0.40
▸ TEK Q02763 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PDGFRB P09619 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL175824 0.92 EPHX2 (0.40) EPHX2DGAT1SMN1; SMN2KDRCNR1
SCHEMBL164213 0.91 EPHX2 (0.54) EPHX2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL175829 0.90 DGAT1 (0.50) EPHX2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL162546 0.90 DGAT1 (0.49) EPHX2DGAT1SMN1; SMN2MAPTKDR
SCHEMBL161249 0.90 DGAT1 (0.49) EPHX2DGAT1NPC1RAB9AMAPT
SCHEMBL161985 0.89 EPHX2 (0.41) EPHX2DGAT1SMN1; SMN2MAPTCNR1
SCHEMBL161816 0.87 DGAT1 (0.47) EPHX2DGAT1SMN1; SMN2MAPTKDR
SCHEMBL161801 0.84 DGAT1 (0.50) EPHX2DGAT1NPC1RAB9ASMN1; SMN2
SCHEMBL161059 0.82 CNR1 (0.42) EPHX2DGAT1KDRCNR1KMT2A
SCHEMBL161219 0.81 DGAT1 (0.54) EPHX2DGAT1NPC1RAB9ASMN1; SMN2

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 EPHX2 712/4885DGAT1 1/4885NPC1 86/4885

“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.

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