SCHEMBL6500113

SCHEMBL6500113

COc1ccc(S(=O)(=O)NC(CC(=O)O)NC(=O)c2cccc(N3CCC(NC4=NCCCN4)CC3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 16/20 0.55
▸ ITGAV P06756 16/20 0.55
▸ ITGA2B P08514 14/20 0.55
▸ ITGB1 P05556 1/20 0.40
▸ ITGB5 P18084 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP13 P45452 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
SCHEMBL6498837 0.92 ITGB3 (0.62) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6506970 0.92 ITGB3 (0.59) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL381993 0.88 ITGB3 (0.65) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6498611 0.87 DRD2 (0.41) ITGB3ITGAVITGA2BSMN1; SMN2ALDH1A1
SCHEMBL6500095 0.86 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6498525 0.86 ITGB3 (0.53) ITGB3ITGAVITGA2BITGB1
SCHEMBL6506057 0.85 ITGB3 (0.50) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL382432 0.84 ITGB3 (0.76) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL383174 0.84 ITGB3 (0.73) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6499346 0.84 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 — — US claimed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 — — EP claimed
US-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 — — US disclosed
EP-1229024-A1 m-SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING INTEGRIN ALPHA-V BETA-3 ANTAGONISM MEIJI SEIKA KAISHA LTD. (JP) 2002-08-07 — — 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 (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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity ITGAV, ITGB3, ITGA4 ITGB3 2/4885ITGAV 1/4885ITGA2B 23/4885

“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.

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