SCHEMBL6504442

SCHEMBL6504442

CC(C)(C)N(OC(=O)CCNC(=O)c1cccc(N2CCC(CNc3ncccn3)CC2)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRM4 P08173 2/20 0.39
GRIN2B Q13224 8/20 0.38
ITGB3 P05106 2/20 0.37
ITGB1 P05556 2/20 0.37
ITGAV P06756 2/20 0.37
ITGA2B P08514 2/20 0.37
ITGA5 P08648 2/20 0.37
ITGB5 P18084 2/20 0.37
TGFBR1 P36897 1/20 0.36
KAT6A Q92794 1/20 0.36
RAB9A P51151 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
SCHEMBL6499244 0.90 CNR1 (0.38) ALDH1A1HSD17B10CHRM4ITGB3ITGAV
SCHEMBL6498054 0.88 RAB9A (0.34) SMN1; SMN2ALDH1A1GRIN2BRAB9A
SCHEMBL6500739 0.87 RAB9A (0.34) LMNASMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL6500365 0.86 KDM4E (0.48) LMNASMN1; SMN2ALDH1A1HSD17B10RAB9A
SCHEMBL6498548 0.85 CCR2 (0.35) SMN1; SMN2ALDH1A1CHRM4RAB9A
SCHEMBL6501575 0.84 ITGB3 (0.40) ITGB3ITGAVITGA2BRAB9A
SCHEMBL6496599 0.84 ITGB3 (0.40) ITGB3ITGAVITGA2BRAB9A
SCHEMBL6509189 0.84 KMT2A (0.34) LMNASMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL7468819 0.84 KAT6A (0.43) LMNASMN1; SMN2ALDH1A1POLBHPGD
SCHEMBL383158 0.82 ITGB3 (0.44) LMNASMN1; SMN2ALDH1A1ITGB3ITGAV

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 LMNA 1586/4885SMN1; SMN2 1363/4885ALDH1A1 1967/4885

“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.