SCHEMBL5002161

SCHEMBL5002161

Cc1ccc(S(=O)(=O)N[C@H](Cc2cn([C@@H]3CCCc4cc(CO)ccc43)nn2)C(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.38
PRSS1 P07477 1/20 0.38
PLAU P00749 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
MMP9 P14780 1/20 0.37
BDKRB1 P46663 3/20 0.37
HPN P05981 3/20 0.37
ST14 Q9Y5Y6 2/20 0.37
HGFAC Q04756 1/20 0.37
TSHR P16473 1/20 0.36
NLRP3 Q96P20 1/20 0.34

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
SCHEMBL5002169 1.00 F2 (0.38) F2PRSS1PLAUTDP1MMP9
SCHEMBL14097982 0.91 BDKRB1 (0.43) F2PRSS1PLAUTDP1MMP9
SCHEMBL5001898 0.91 BDKRB1 (0.45) F2PRSS1BDKRB1
SCHEMBL5001770 0.91 BDKRB1 (0.48) PLAUBDKRB1
SCHEMBL5001773 0.91 BDKRB1 (0.48) PLAUBDKRB1
SCHEMBL5001917 0.90 BDKRB1 (0.44) F2PRSS1PLAUMMP9BDKRB1
SCHEMBL5007679 0.90 BDKRB1 (0.44) PLAUBDKRB1
SCHEMBL5005261 0.90 BDKRB1 (0.44) PLAUBDKRB1
SCHEMBL5007680 0.90 BDKRB1 (0.44) PLAUBDKRB1
SCHEMBL5001746 0.89 TDP1 (0.42) F2PRSS1PLAUTDP1MMP9

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 5 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-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-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 F2 541/4885PRSS1 526/4885PLAU 1322/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB F2 298/4885PRSS1 345/4885PLAU 670/4885

“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.