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Sugi Predict / Compounds / SCHEMBL487235

SCHEMBL487235

SCHEMBL487235

CC(C)(C)OC(=O)[C@H](Cc1ccccc1)n1cccc(N)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA4 P13612 1/20 0.40
▸ ITGB7 P26010 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ CYP24A1 Q07973 1/20 0.38
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ POLB P06746 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PTPN7 P35236 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BLM P54132 1/20 0.37

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
SCHEMBL487236 1.00 ITGA4 (0.40) ITGA4ITGB7HSD17B10NPSR1MAOA
SCHEMBL8267206 0.87 CYP24A1 (0.35) HSD17B10NPSR1CYP24A1MAPTALDH1A1
SCHEMBL473165 0.85 ELANE (0.37) HSD17B10ALDH1A1L3MBTL1
SCHEMBL473167 0.85 ELANE (0.37) HSD17B10ALDH1A1L3MBTL1
SCHEMBL14665214 0.82 HSD17B10 (0.38) HSD17B10NPSR1MAPTALDH1A1GAA
SCHEMBL486965 0.80 ELANE (0.43) NPSR1MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL486964 0.80 ELANE (0.43) NPSR1MAPTALDH1A1CYP2C9CYP2C19
SCHEMBL487126 0.79 ELANE (0.49) CTSL
SCHEMBL487127 0.79 ELANE (0.49) CTSL
SCHEMBL14423544 0.78 ELANE (0.39) MAPTKMT2A

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-8362043-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 — — US disclosed
US-8362043-B2 Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, 3(R,S)-[2(S)-(3-Benzoylamino-2-oxo-2H-pyridin-1-yl)-3-phenyl-propionylamino]-5-fluoro-4-oxo-pentanoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-29 — — US disclosed
EP-1833794-B1 3-[2-(3-ACYLAMINO-2-OXO-2H-PYRIDIN-1-YL)-ACETYLAMINO]-4-OXO-PENTANOIC ACID DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS VERTEX PHARMA (US) 2012-02-01 — — EP disclosed
US-20060160862-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2006-07-20 — — 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 (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-20060160862-A1 Caspase inhibitors and uses thereof CASP1, CASP5, CASP3 ITGA4 4364/4885ITGB7 4070/4885HSD17B10 992/4885

“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.