SCHEMBL4600380

SCHEMBL4600380

COC(=O)Cc1ccc(C(=O)c2ccc(S(C)(=O)=O)cc2)n1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
CXCL8 P10145 1/20 0.51
AKR1B1 P15121 1/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
GLO1 Q04760 1/20 0.51
BDKRB2 P30411 2/20 0.42
GSR P00390 1/20 0.36

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
SCHEMBL4602352 0.84 HPGD (0.54) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL3999226 0.84 CXCL8 (0.72) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL4601841 0.83 CXCL8 (0.55) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL11811415 0.83 PTGS1 (0.55) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL11810708 0.83 PTGS2 (0.55) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL11371392 0.82 CXCL8 (0.57) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL9031823 0.81 HPGD (0.51) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL9030377 0.80 CXCL8 (0.51) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL7681835 0.77 TSHR (0.53) HPGDCXCL8AKR1B1PTGS1PTGS2
SCHEMBL7675745 0.75 HPGD (0.44) HPGDCXCL8AKR1B1PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914236-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators Ortho-McNeil Pharmaceutical, Inc. (US) 2008-04-23 EP disclosed
US-7358261-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2008-04-15 US disclosed
US-6958349-B2 Heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICALS, INC. (US) 2005-10-25 US disclosed
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators CARSON JOHN R (US) 2005-07-21 US disclosed
EP-1495017-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS Ortho-McNeil Pharmaceutical, Inc. (US) 2005-01-12 EP disclosed
US-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-09-30 US disclosed
WO-2003087090-A2 NOVEL HETEROARYL ALKYLAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL,INC. (US) 2003-10-23 WO 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-20040192720-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 HPGD 480/4885CXCL8 657/4885AKR1B1 387/4885
US-20050159443-A1 Novel heteroaryl alkylamide derivatives useful as bradykinin receptor modulators BDKRB2, BDKRB1, MRGPRX1 HPGD 480/4885CXCL8 657/4885AKR1B1 387/4885

“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.