SCHEMBL5339721

SCHEMBL5339721

NC(=O)N(c1cccc(-c2ccc(S(=O)(=O)NC(CC(=O)O)c3cccc(N)c3)cc2)c1)c1nc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.53
ITGAV P06756 12/20 0.53
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK2 O96017 1/20 0.39
EEF2K O00418 3/20 0.39
ADAMTS4 O75173 2/20 0.39
PTPN1 P18031 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
SCHEMBL5340108 0.95 ITGB3 (0.59) ITGB3ITGAVALDH1A1ATML3MBTL1
SCHEMBL5336087 0.88 ITGB3 (0.60) ITGB3ITGAVALDH1A1ATML3MBTL1
SCHEMBL3835824 0.81 ITGB3 (0.52) ITGB3ITGAVADAMTS4PTPN1
SCHEMBL3839395 0.80 ITGB3 (0.79) ITGB3ITGAV
SCHEMBL5338043 0.76 ITGB3 (0.57) ITGB3ITGAVADAMTS4
SCHEMBL5340097 0.75 ITGB3 (0.88) ITGB3ITGAV
SCHEMBL5878235 0.73 ITGB3 (0.89) ITGB3ITGAV
SCHEMBL7408745 0.70 ITGB3 (0.67) ITGB3ITGAVALDH1A1ATML3MBTL1
SCHEMBL5338635 0.70 ITGB3 (0.69) ITGB3ITGAVADAMTS4
SCHEMBL5878472 0.70 ITGB3 (0.89) ITGB3ITGAVALDH1A1ATML3MBTL1

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 1/4885ALDH1A1 2750/4885
US-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 ITGB3 2/4885ITGAV 1/4885ALDH1A1 1836/4885

“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.