SCHEMBL6500217

SCHEMBL6500217

CC(C)(C)[C@](CNC(=O)c1cccc(N2CCN(c3ncccn3)CC2)c1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 2/20 0.44
KDM4E B2RXH2 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
ATM Q13315 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
RAB9A P51151 2/20 0.41
AURKA O14965 1/20 0.40
KDR P35968 1/20 0.40
FLT3 P36888 1/20 0.40
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38

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 0.87 SFRP1 (0.41) KAT6AATMGLAMAPTTDP1
SCHEMBL6504481 0.86 KAT6A (0.42) KAT6ASMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL6500380 0.82 KAT6A (0.45) KAT6AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL6497211 0.80 DRD2 (0.41) HTTSMN1; SMN2LMNAALDH1A1MAPK1
SCHEMBL383161 0.77 ITGB3 (0.47) ATMGLAMAPTTDP1
SCHEMBL6500480 0.77 ITGB3 (0.38) KAT6A
SCHEMBL6496630 0.77 ITGB3 (0.59)
SCHEMBL6498464 0.76 DRD2 (0.39) KMT2A
SCHEMBL7463691 0.76 KDM4E (0.52) KAT6AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL383098 0.74 ITGB3 (0.50)

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 1672/4885KDM4E 945/4885HTT 4605/4885

“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.