SCHEMBL3830567

SCHEMBL3830567

CCOC(=O)[C@H](Cc1cc(OC)c(-c2ccccc2)c(OC)c1)NC1=C(SC(C)C)C(=O)C1(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
ITGB1 P05556 10/20 0.37
ITGA4 P13612 10/20 0.37
ITGB7 P26010 3/20 0.35
TP53 P04637 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
ACE P12821 3/20 0.34
PDE3A Q14432 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL2985006 0.91 ITGB1 (0.43) ITGB1ITGA4ITGB7
SCHEMBL3836412 0.80 ELANE (0.40) ELANEITGB1ITGA4ITGB7TP53
SCHEMBL5149540 0.79 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL3830570 0.79 ITGB1 (0.34) ITGB1ITGA4ITGB7
SCHEMBL2985009 0.75 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL3835529 0.71 TPH1 (0.45) ITGB1ITGA4ITGB7
SCHEMBL3836888 0.71 ITGB1 (0.46) ITGB1ITGA4ITGB7
SCHEMBL2987481 0.70 ITGB1 (0.47) ITGB1ITGA4ITGB7
SCHEMBL3835537 0.68 FPR2 (0.49) ITGB1ITGA4ITGB7
SCHEMBL3833211 0.67 ITGB1 (0.50) ITGB1ITGA4ITGB7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US disclosed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 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-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 ELANE 275/4885ITGB1 3/4885ITGA4 40/4885

“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.