SCHEMBL5481456

SCHEMBL5481456

O=C(NC[C@@H](O)CNc1ccc(N2CCNC2=O)cc1)c1ccc(Cl)s1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.53
ITGB1 P05556 1/20 0.53
ITGAV P06756 1/20 0.53
ITGA5 P08648 1/20 0.53
ITGA4 P13612 1/20 0.53
ITGB5 P18084 1/20 0.53
ITGB8 P26012 1/20 0.53
F10 P00742 19/20 0.50
F2 P00734 2/20 0.44
ABCB11 O95342 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44

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
SCHEMBL5481454 1.00 ITGB3 (0.53) ITGB3ITGB1ITGAVITGA5ITGA4
SCHEMBL8337028 0.85 F10 (0.49) F10F2ABCB11ST14
SCHEMBL5473752 0.84 F10 (0.62) F10F2ABCB11ST14
SCHEMBL80174 0.82 F10 (0.49) F10F2ABCB11ST14
SCHEMBL3276611 0.82 F10 (0.67) F10F2ABCB11ST14
SCHEMBL2233431 0.82 F10 (0.67) F10F2ABCB11ST14
SCHEMBL78971 0.82 F10 (0.67) F10F2ABCB11ST14
SCHEMBL15326032 0.81 F10 (0.47) F10F2ABCB11ST14
SCHEMBL15326027 0.79 F10 (0.47) F10F2ABCB11ST14
SCHEMBL77633 0.78 F10 (0.42) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066615-A1 Heterocyclic compounds BAYER HEATHCARE AG (DE) 2007-03-22 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-20070066615-A1 Heterocyclic compounds F2, SERPINC1, TFPI ITGB3 1676/4885ITGB1 2673/4885ITGAV 2198/4885

“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.