SCHEMBL5338043

SCHEMBL5338043

NC(=O)N(c1cccc(-c2cccc(S(=O)(=O)NC(Cc3ccc(N)cc3)C(=O)O)c2)c1)c1nc2ccccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.57
ITGAV P06756 10/20 0.57
ADAMTS4 O75173 2/20 0.44
MMP2 P08253 5/20 0.41
MMP9 P14780 3/20 0.41
POLB P06746 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA2B P08514 1/20 0.40
ITGB5 P18084 1/20 0.40
CTSL P07711 2/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
CTSB P07858 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.38

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 0.94 ITGB3 (0.52) ITGB3ITGAVADAMTS4MMP2MMP9
SCHEMBL5338635 0.87 ITGB3 (0.69) ITGB3ITGAVADAMTS4MMP2MMP9
SCHEMBL5336087 0.85 ITGB3 (0.60) ITGB3ITGAV
SCHEMBL5340108 0.81 ITGB3 (0.59) ITGB3ITGAV
SCHEMBL14501726 0.79 ITGB3 (0.89) ITGB3ITGAVADAMTS4
SCHEMBL5338036 0.79 ITGB3 (0.89) ITGB3ITGAVADAMTS4
SCHEMBL5339721 0.76 ITGB3 (0.53) ITGB3ITGAVADAMTS4
SCHEMBL14501729 0.74 ITGB3 (0.79) ITGB3ITGAVADAMTS4MMP2MMP9
SCHEMBL3835821 0.74 ITGB3 (0.79) ITGB3ITGAVADAMTS4MMP2MMP9
SCHEMBL5878498 0.73 ITGB3 (1.00) ITGB3ITGAVADAMTS4MMP2MMP9

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 1/4885ADAMTS4 155/4885

“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.