SCHEMBL5340108

SCHEMBL5340108

NC(=O)N(c1cccc(-c2cccc(S(=O)(=O)NC(CC(=O)O)c3cccc(N)c3)c2)c1)c1nc2ccccc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.59
ITGAV P06756 14/20 0.59
EEF2K O00418 3/20 0.38
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OGT O15294 1/20 0.36

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
SCHEMBL5339721 0.95 ITGB3 (0.53) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL5336087 0.93 ITGB3 (0.60) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL5338043 0.81 ITGB3 (0.57) ITGB3ITGAV
SCHEMBL5340097 0.80 ITGB3 (0.88) ITGB3ITGAV
SCHEMBL7408745 0.77 ITGB3 (0.67) ITGB3ITGAVEEF2KALDH1A1ATM
SCHEMBL3835824 0.76 ITGB3 (0.52) ITGB3ITGAV
SCHEMBL3839395 0.75 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5336078 0.73 ITGB3 (0.89) ITGB3ITGAV
SCHEMBL5878743 0.73 ITGB3 (1.00) ITGB3ITGAV
SCHEMBL5878233 0.73 ITGB3 (1.00) ITGB3ITGAVEEF2KALDH1A1ATM

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-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
US-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-12-05 US disclosed
EP-1219305-A1 Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units Bayer Aktiengesellschaft (DE) 2002-07-03 EP 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 (2 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-20020183256-A1 Cytostatic-integrin conjugates having specifically cleavable linking units ITGAV, ITGB3, ITGAL ITGB3 2/4885ITGAV 1/4885EEF2K 4150/4885
US-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885EEF2K 3379/4885

“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.