SCHEMBL5338635

SCHEMBL5338635

COc1ccc(-c2cccc(N(C(N)=O)c3nc4ccccc4[nH]3)c2)cc1S(=O)(=O)NC(Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.69
ITGAV P06756 15/20 0.69
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
TYMS P04818 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MAPT P10636 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
SCHEMBL3835824 0.88 ITGB3 (0.52) ITGB3ITGAVMMP2MMP9ADAMTS4
SCHEMBL5338043 0.87 ITGB3 (0.57) ITGB3ITGAVMMP2MMP9ADAMTS4
SCHEMBL5338628 0.82 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL14501725 0.82 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5878473 0.76 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5336087 0.73 ITGB3 (0.60) ITGB3ITGAV
SCHEMBL5339721 0.70 ITGB3 (0.53) ITGB3ITGAVADAMTS4
SCHEMBL5340108 0.69 ITGB3 (0.59) ITGB3ITGAV
SCHEMBL3835821 0.68 ITGB3 (0.79) ITGB3ITGAVMMP2MMP9ADAMTS4
SCHEMBL14501729 0.68 ITGB3 (0.79) ITGB3ITGAVMMP2MMP9ADAMTS4

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-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885CYP3A4 1721/4885

“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.