SCHEMBL5001776

SCHEMBL5001776

Cc1ccc(S(=O)(=O)NC(Cc2cn(C3CCCc4cc(C(=O)O)ccc43)nn2)C(N)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
MMP9 P14780 2/20 0.38
HPN P05981 5/20 0.38
PLAU P00749 3/20 0.38
ST14 Q9Y5Y6 3/20 0.38
HGFAC Q04756 1/20 0.38
F2 P00734 5/20 0.38
TSHR P16473 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRSS1 P07477 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
SCHEMBL5001746 1.00 TDP1 (0.42) TDP1MMP9HPNPLAUST14
SCHEMBL5001825 1.00 TDP1 (0.42) TDP1MMP9HPNPLAUST14
SCHEMBL5007656 0.93 KDM4E (0.38) TDP1MMP9HPNPLAUST14
SCHEMBL5007658 0.93 KDM4E (0.38) TDP1MMP9HPNPLAUST14
SCHEMBL5007662 0.93 KDM4E (0.38) TDP1MMP9HPNPLAUST14
SCHEMBL5002169 0.89 F2 (0.38) TDP1MMP9HPNPLAUST14
SCHEMBL5002161 0.89 F2 (0.38) TDP1MMP9HPNPLAUST14
SCHEMBL5002042 0.89 F2 (0.36) TDP1MMP9HPNPLAUST14
SCHEMBL5005232 0.89 F2 (0.36) TDP1MMP9HPNPLAUST14
SCHEMBL5005231 0.89 F2 (0.36) TDP1MMP9HPNPLAUST14

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 3 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
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 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 (2 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 TDP1 3759/4885MMP9 2559/4885HPN 885/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB TDP1 3687/4885MMP9 2019/4885HPN 575/4885

“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.