SCHEMBL6500032

SCHEMBL6500032

O=C(O)CC(NC(=O)c1cccc(N2CCC(CNc3ncccn3)CC2)c1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 6/20 0.44
▸ ITGAV P06756 6/20 0.44
▸ ITGB1 P05556 5/20 0.44
▸ ITGA5 P08648 5/20 0.44
▸ ITGB5 P18084 5/20 0.44
▸ ITGA2B P08514 4/20 0.44
▸ KAT6A Q92794 1/20 0.44
▸ GRIN2B Q13224 8/20 0.41
▸ HDAC3 O15379 2/20 0.39
▸ HDAC4 P56524 2/20 0.39
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC7 Q8WUI4 2/20 0.39
▸ HDAC2 Q92769 2/20 0.39
▸ HDAC10 Q969S8 2/20 0.39
▸ HDAC11 Q96DB2 2/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.39
▸ HDAC9 Q9UKV0 2/20 0.39
▸ HDAC5 Q9UQL6 2/20 0.39
▸ RAB9A P51151 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
SCHEMBL6499964 0.89 KAT6A (0.43) ITGB3ITGAVITGA2BKAT6AHDAC1
SCHEMBL6506057 0.86 ITGB3 (0.50) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6496651 0.85 KAT6A (0.47) KAT6ARAB9AALDH1A1LMNASMN1; SMN2
SCHEMBL6500003 0.84 ITGB3 (0.55) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6507021 0.83 ITGB3 (0.41) ITGB3ITGAVITGA2BKAT6ASMN1; SMN2
SCHEMBL6498611 0.81 DRD2 (0.41) ITGB3ITGAVITGA2BALDH1A1LMNA
SCHEMBL6504451 0.80 KAT6A (0.42) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL6498837 0.79 ITGB3 (0.62) ITGB3ITGAVITGB1ITGB5ITGA2B
SCHEMBL27551456 0.79 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5
SCHEMBL382764 0.79 ITGB3 (0.51) ITGB3ITGAVITGB1ITGA5ITGB5

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 1/4885ITGB1 12/4885

“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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