Sugi Predict

Sugi Predict / Compounds / SCHEMBL5001928

SCHEMBL5001928

SCHEMBL5001928

Cc1ccc(S(=O)(=O)N[C@H](Cc2cn([C@@H]3CCOc4cc(CNC5CCCC5)ccc43)nn2)C(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BDKRB1 P46663 10/20 0.43
▸ NMT1 P30419 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ F2 P00734 2/20 0.35
▸ PLAU P00749 1/20 0.34
▸ HPN P05981 2/20 0.34
▸ ST14 Q9Y5Y6 2/20 0.34
▸ HGFAC Q04756 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL5001936 1.00 BDKRB1 (0.43) BDKRB1NMT1TSHRHTTHSD17B10
SCHEMBL5001778 0.94 BDKRB1 (0.45) BDKRB1NMT1TSHRHTTHSD17B10
SCHEMBL5001780 0.94 BDKRB1 (0.45) BDKRB1NMT1TSHRHTTHSD17B10
SCHEMBL14097982 0.88 BDKRB1 (0.43) BDKRB1NMT1TSHRHTTHSD17B10
SCHEMBL5002159 0.86 BDKRB1 (0.41) BDKRB1PLAUHPNST14HGFAC
SCHEMBL5002026 0.85 AIMP2 (0.35) BDKRB1F2PLAUHPNST14
SCHEMBL5002032 0.85 AIMP2 (0.35) BDKRB1F2PLAUHPNST14
SCHEMBL14029678 0.82 BDKRB1 (0.44) BDKRB1NMT1TSHRHTTHSD17B10
SCHEMBL4997479 0.81 BDKRB1 (0.40) BDKRB1TSHRTDP1
SCHEMBL5001820 0.81 BDKRB1 (0.40) BDKRB1TSHRTDP1

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 claimed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 — — US claimed
US-20060100216-A1 Novel B1 bradykinin receptor antagonists AMGEN INC. (US) 2006-05-11 — — US claimed
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 BDKRB1 1/4885NMT1 2855/4885TSHR 909/4885
US-20060100216-A1 Novel B1 bradykinin receptor antagonists BDKRB1, BDKRB2, EDNRB BDKRB1 1/4885NMT1 1191/4885TSHR 1358/4885

“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.