SCHEMBL3457973

SCHEMBL3457973

O=C(O)[C@H]1CC[C@@H](Oc2ccncc2)C[C@@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.44
▸ GRIN1 Q05586 2/20 0.40
▸ GRIN2B Q13224 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CPB2 Q96IY4 1/20 0.39
▸ FFAR4 Q5NUL3 6/20 0.38
▸ CYP19A1 P11511 3/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2J2 P51589 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TNKS O95271 2/20 0.36
▸ PARP1 P09874 2/20 0.36
▸ PARP2 Q9UGN5 2/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.35

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
SCHEMBL21525587 0.80 ACSL1 (0.49) EPHX2CPB2MAP4K4CYP2C9CYP2J2
SCHEMBL30929559 0.78 GRIN1 (0.46) EPHX2GRIN1GRIN2BHSD17B10CPB2
SCHEMBL20400026 0.76 HRH1 (0.43) EPHX2GRIN1GRIN2BCPB2MAP4K4
SCHEMBL31540092 0.76 HRH1 (0.43) EPHX2GRIN1GRIN2BCPB2MAP4K4
SCHEMBL4963257 0.73 EPHX2 (0.51) EPHX2TNKSPARP1PARP2TNKS2
SCHEMBL11645611 0.73 FFAR4 (0.44) EPHX2FFAR4
SCHEMBL4963265 0.73 EPHX2 (0.51) EPHX2TNKSPARP1PARP2TNKS2
SCHEMBL28688794 0.73 MCL1 (0.47) EPHX2FFAR4MAP4K4
SCHEMBL14128778 0.72 CYP19A1 (0.47) EPHX2GRIN1GRIN2BCYP19A1MAP4K4
SCHEMBL26351289 0.72 EPHX2 (0.42) EPHX2GRIN1GRIN2BCPB2CYP19A1

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
US-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES INCYTE CORPORATION (US) 2015-01-22 — — US disclosed
US-8853243-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2014-10-07 — — US disclosed
EP-2264030-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases Incyte Corporation (US) 2010-12-22 — — EP disclosed
US-7491724-B2 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION (US) 2009-02-17 — — US disclosed
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases LNCYTE CORPORATION (US) 2008-07-10 — — US disclosed
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases INCYTE CORPORATION 2005-05-26 — — US 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 (3 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-20150025056-A1 SUBSTITUTED CYCLIC HYDROXAMATES AS INHIBITORS OF MATRIX METALLOPROTEINASES MMP25, MMP2, MMP14 EPHX2 403/4885GRIN1 3271/4885GRIN2B 3868/4885
US-20080167288-A1 Substituted cyclic hydroxamates as lnhibitors of matrix metalloproteinases MMP25, MMP9, MMP24 EPHX2 337/4885GRIN1 3160/4885GRIN2B 3135/4885
US-20050113344-A1 Substituted cyclic hydroxamates as inhibitors of matrix metalloproteinases MMP25, MMP2, MMP14 EPHX2 403/4885GRIN1 3271/4885GRIN2B 3868/4885

“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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