SCHEMBL6507434

SCHEMBL6507434

CC(C)(C)N(OC(=O)CCNC(=O)c1cccc(N2CCC(Nc3ncccn3)CC2)c1F)S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
F10 P00742 3/20 0.33
ITGB3 P05106 2/20 0.33
ITGAV P06756 2/20 0.33
ITGA2B P08514 2/20 0.33
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ADRB2 P07550 1/20 0.33
MAPK8 P45983 3/20 0.32
MAPK9 P45984 1/20 0.32
MAPK10 P53779 1/20 0.32
CCR5 P51681 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL382792 0.94 ITGB3 (0.35) DRD2DRD3F10ITGB3ITGAV
SCHEMBL382332 0.89 ITGB3 (0.37) ITGB3ITGAVITGA2BLMNA
SCHEMBL6501603 0.87 RORC (0.37) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL382456 0.86 ITGB3 (0.47) ITGB3ITGAVITGA2BLMNAHSD17B10
SCHEMBL6497814 0.86 ITGB3 (0.41) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL383158 0.85 ITGB3 (0.44) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL7464227 0.84 ITGB3 (0.37) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL383095 0.84 ITGB3 (0.46) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6499244 0.84 CNR1 (0.38) DRD2DRD3ITGB3ITGAVITGA2B
SCHEMBL6500429 0.84 ITGB3 (0.36) DRD2DRD3ITGB3ITGAVITGA2B

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 DRD2 796/4885DRD3 514/4885F10 322/4885

“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.