SCHEMBL6504451

SCHEMBL6504451

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.42
GRIN2B Q13224 9/20 0.39
ITGB3 P05106 2/20 0.38
ITGB1 P05556 2/20 0.38
ITGAV P06756 2/20 0.38
ITGA2B P08514 2/20 0.38
ITGA5 P08648 2/20 0.38
ITGB5 P18084 2/20 0.38
LDHA P00338 1/20 0.38
RAB9A P51151 1/20 0.38
SFRP1 Q8N474 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL6499251 0.89 SFRP1 (0.42) KAT6AITGB3ITGAVITGA2BRAB9A
SCHEMBL6500380 0.85 KAT6A (0.45) KAT6ARAB9ALMNATSHRGLA
SCHEMBL6504481 0.84 KAT6A (0.42) KAT6AGRIN2BITGB3ITGB1ITGAV
SCHEMBL6497223 0.82 DRD2 (0.41) RAB9ASFRP1LMNAMAPTTDP1
SCHEMBL6500032 0.80 ITGB3 (0.44) KAT6AGRIN2BITGB3ITGB1ITGAV
SCHEMBL383159 0.80 ITGB3 (0.44) ITGB3ITGAVITGA2BSFRP1HDAC1
SCHEMBL6500444 0.79 KAT6A (0.39) KAT6AITGB3ITGAVITGA2BSFRP1
SCHEMBL6498423 0.79 DRD2 (0.40) ITGB3ITGAVITGA2BSFRP1
SCHEMBL383096 0.79 ITGB3 (0.47) ITGB3ITGAVITGA2B
SCHEMBL6500003 0.77 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA2BITGA5

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-20050059669-A1 M-substituted benzoic acid derivatives having integrin alpha v beta 3 antagonistic activity AJITO KEIICHI (JP) 2005-03-17 US 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

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 KAT6A 1672/4885GRIN2B 820/4885ITGB3 2/4885

“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.