Sugi Predict

Sugi Predict / Compounds / SCHEMBL5107016

SCHEMBL5107016

SCHEMBL5107016

COC(=O)c1ccc2c(c1)OCCC2n1cc(C[C@H](NS(=O)(=O)c2ccc(C)cc2)C(=O)O)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP2C9 P11712 2/20 0.40
▸ MMP9 P14780 3/20 0.40
▸ ITGB3 P05106 3/20 0.38
▸ ITGA2B P08514 3/20 0.38
▸ PSMD10 O75832 1/20 0.38
▸ TCF4 P15884 1/20 0.35
▸ CTNNB1 P35222 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AIMP2 Q13155 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPN P05981 1/20 0.35
▸ HGFAC Q04756 1/20 0.35
▸ ST14 Q9Y5Y6 1/20 0.35
▸ MMP2 P08253 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
SCHEMBL4344712 0.87 TDP1 (0.39) TDP1MMP9ITGB3ITGA2BAIMP2
SCHEMBL4344707 0.87 TDP1 (0.39) TDP1MMP9ITGB3ITGA2BAIMP2
SCHEMBL5005249 0.86 TDP1 (0.42) TDP1CYP2C9MMP9ITGB3ITGA2B
SCHEMBL5002139 0.86 TDP1 (0.42) TDP1CYP2C9MMP9ITGB3ITGA2B
SCHEMBL5002134 0.86 TDP1 (0.42) TDP1CYP2C9MMP9ITGB3ITGA2B
SCHEMBL5001778 0.84 BDKRB1 (0.45) TDP1MMP9ITGB3ITGA2BTSHR
SCHEMBL5001780 0.84 BDKRB1 (0.45) TDP1MMP9ITGB3ITGA2BTSHR
SCHEMBL5001688 0.83 BDKRB1 (0.43) TDP1MMP9ITGB3ITGA2BAIMP2
SCHEMBL5001647 0.83 BDKRB1 (0.43) TDP1MMP9ITGB3ITGA2BAIMP2
SCHEMBL5002026 0.81 AIMP2 (0.35) TDP1MMP9AIMP2MEN1KMT2A

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 6 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-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 3759/4885CYP2C9 1260/4885MMP9 2559/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB TDP1 3687/4885CYP2C9 1881/4885MMP9 2019/4885

“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.