SCHEMBL4331450

SCHEMBL4331450

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.41
TDP1 Q9NUW8 1/20 0.39
ITGB3 P05106 4/20 0.37
ITGAV P06756 1/20 0.37
ITGA2B P08514 3/20 0.36
F2 P00734 3/20 0.36
PRSS1 P07477 1/20 0.35
MMP2 P08253 3/20 0.35
PLAU P00749 1/20 0.34
KDM4C Q9H3R0 2/20 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
SCHEMBL5002010 1.00 MMP9 (0.41) MMP9TDP1ITGB3ITGAVITGA2B
SCHEMBL5005231 0.94 F2 (0.36) MMP9TDP1F2PRSS1PLAU
SCHEMBL5002042 0.94 F2 (0.36) MMP9TDP1F2PRSS1PLAU
SCHEMBL5005232 0.94 F2 (0.36) MMP9TDP1F2PRSS1PLAU
SCHEMBL5002139 0.87 TDP1 (0.42) MMP9TDP1ITGB3ITGAVITGA2B
SCHEMBL5005249 0.87 TDP1 (0.42) MMP9TDP1ITGB3ITGAVITGA2B
SCHEMBL5002134 0.87 TDP1 (0.42) MMP9TDP1ITGB3ITGAVITGA2B
SCHEMBL5002005 0.86 BDKRB1 (0.45) MMP9TDP1ITGB3ITGA2BF2
SCHEMBL5001931 0.86 BDKRB1 (0.45) MMP9TDP1ITGB3ITGA2BF2
SCHEMBL4344712 0.85 TDP1 (0.39) MMP9TDP1ITGB3ITGA2BMMP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US disclosed
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 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-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-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 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 (3 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-20060100213-A1 Triazoles and methods of use CYP3A5, CYP3A43, CYP2E1 MMP9 907/4885TDP1 789/4885ITGB3 762/4885
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 MMP9 2559/4885TDP1 3759/4885ITGB3 1224/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB MMP9 2019/4885TDP1 3687/4885ITGB3 2146/4885

“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.