SCHEMBL6499277

SCHEMBL6499277

CC(C)(C)[C@](CNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 1/20 0.41
KAT6A Q92794 1/20 0.41
ITGB3 P05106 5/20 0.39
ITGAV P06756 5/20 0.39
ITGA2B P08514 5/20 0.39
DRD2 P14416 5/20 0.38
DRD3 P35462 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
JAK2 O60674 1/20 0.37
BRD4 O60885 1/20 0.37
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC1 Q13547 1/20 0.36
SCN9A Q15858 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
SCHEMBL6497211 0.93 DRD2 (0.41) SFRP1ITGB3ITGAVITGA2BDRD2
SCHEMBL383161 0.91 ITGB3 (0.47) SFRP1ITGB3ITGAVITGA2BDRD2
SCHEMBL6500480 0.90 ITGB3 (0.38) SFRP1KAT6AITGB3ITGAVITGA2B
SCHEMBL6498464 0.89 DRD2 (0.39) SFRP1ITGB3ITGAVITGA2BDRD2
SCHEMBL6504481 0.89 KAT6A (0.42) SFRP1KAT6AITGB3ITGAVITGA2B
SCHEMBL383098 0.88 ITGB3 (0.50) ITGB3ITGAVITGA2B
SCHEMBL6497874 0.87 ITGB3 (0.44) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6501648 0.87 KAT6A (0.39) SFRP1KAT6AITGB3ITGAVITGA2B
SCHEMBL382826 0.87 ITGB3 (0.51) ITGB3ITGAVITGA2BMEN1KMT2A
SCHEMBL6500217 0.87 KAT6A (0.44) KAT6AMEN1KMT2AGLAMAPT

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 SFRP1 1075/4885KAT6A 1672/4885ITGB3 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.