SCHEMBL163110

SCHEMBL163110

CC(C)(CCc1ncc(-c2ccc(N(C(=N)N)c3ccccc3F)cc2)s1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ LOXL2 Q9Y4K0 2/20 0.34
▸ LTB4R Q15722 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ HSD17B2 P37059 1/20 0.32
▸ QPCT Q16769 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ TMPRSS15 P98073 1/20 0.31
▸ C1S P09871 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ PPARD Q03181 1/20 0.30
▸ SYK P43405 1/20 0.30
▸ GPR88 Q9GZN0 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

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
SCHEMBL162410 0.90 ERCC5 (0.35) ERCC5FEN1LOXL2LTB4RKDM4E
SCHEMBL160966 0.80 ERCC5 (0.31) ERCC5FEN1KDM4EHSD17B1HSD17B2
SCHEMBL161582 0.78 CTSK (0.30) —
SCHEMBL163109 0.78 DGAT1 (0.47) ERCC5FEN1DGAT1
SCHEMBL160057 0.73 DGAT1 (0.54) KDM4EDGAT1
SCHEMBL161519 0.72 DGAT1 (0.45) ERCC5FEN1KDM4EDGAT1CYP1A2
SCHEMBL162408 0.71 DGAT1 (0.44) ERCC5FEN1HDAC6DGAT1CYP2C9
SCHEMBL162409 0.71 DGAT1 (0.44) ERCC5FEN1HDAC6DGAT1CYP2C9
SCHEMBL163876 0.70 CYP11B1 (0.33) FEN1KDM4EDGAT1GPR88
SCHEMBL163650 0.69 XDH (0.45) ERCC5FEN1LTB4R

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 ERCC5 4116/4885FEN1 3792/4885LOXL2 3132/4885

“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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