SCHEMBL6504481

SCHEMBL6504481

CC(C)(C)[C@](CNC(=O)c1cccc(N2CCC(CNc3ncccn3)CC2)c1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.42
GRIN2B Q13224 7/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ITGB3 P05106 1/20 0.38
ITGB1 P05556 1/20 0.38
ITGAV P06756 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA5 P08648 1/20 0.38
ITGB5 P18084 1/20 0.38
LDHA P00338 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM4 P08173 2/20 0.37
SFRP1 Q8N474 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL6499277 0.89 SFRP1 (0.41) KAT6AITGB3ITGAVITGA2BRAB9A
SCHEMBL6500217 0.86 KAT6A (0.44) KAT6ALMNASMN1; SMN2ALDH1A1POLB
SCHEMBL6504451 0.84 KAT6A (0.42) KAT6AGRIN2BLMNAITGB3ITGB1
SCHEMBL6497211 0.82 DRD2 (0.41) LMNASMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL383161 0.80 ITGB3 (0.47) ITGB3ITGAVITGA2BSFRP1
SCHEMBL6500003 0.80 ITGB3 (0.55) ITGB3ITGB1ITGAVITGA2BITGA5
SCHEMBL6500480 0.80 ITGB3 (0.38) KAT6AITGB3ITGAVITGA2BSFRP1
SCHEMBL6498464 0.79 DRD2 (0.39) ITGB3ITGAVITGA2BSFRP1KMT2A
SCHEMBL383098 0.79 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL7468819 0.79 KAT6A (0.43) KAT6AGRIN2BLMNASMN1; SMN2ALDH1A1

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 820/4885LMNA 1586/4885

“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.