SCHEMBL5001647

SCHEMBL5001647

Cc1ccc(S(=O)(=O)NC(Cc2cn([C@@H]3CCOc4cc(CN5CCC(F)CC5)ccc43)nn2)C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 11/20 0.43
TDP1 Q9NUW8 1/20 0.39
MMP9 P14780 1/20 0.37
AIMP2 Q13155 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADAMTS4 O75173 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35

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
SCHEMBL5001688 1.00 BDKRB1 (0.43) BDKRB1TDP1MMP9AIMP2MEN1
SCHEMBL5002159 0.94 BDKRB1 (0.41) BDKRB1AIMP2MEN1KMT2A
SCHEMBL5001845 0.94 BDKRB1 (0.41) BDKRB1AIMP2MEN1KMT2A
SCHEMBL5001844 0.94 BDKRB1 (0.41) BDKRB1AIMP2MEN1KMT2A
SCHEMBL5007692 0.88 BDKRB1 (0.37) BDKRB1
SCHEMBL5001778 0.85 BDKRB1 (0.45) BDKRB1TDP1MMP9ITGB3ITGA2B
SCHEMBL5001780 0.85 BDKRB1 (0.45) BDKRB1TDP1MMP9ITGB3ITGA2B
SCHEMBL5001659 0.85 BDKRB1 (0.44) BDKRB1
SCHEMBL5001661 0.85 BDKRB1 (0.44) BDKRB1
SCHEMBL14029683 0.85 BDKRB1 (0.44) BDKRB1

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-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US disclosed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 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-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction BDKRB1, BDKRB2, FPR1 BDKRB1 1/4885TDP1 3759/4885MMP9 2559/4885

“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.