SCHEMBL4593759

SCHEMBL4593759

CS(=O)(=O)c1ccc(-c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.79
PTGS1 P23219 2/20 0.65
AOC3 Q16853 1/20 0.59
CYP2C9 P11712 2/20 0.53
RARA P10276 2/20 0.53
RARB P10826 2/20 0.53
RARG P13631 2/20 0.53
RXRA P19793 2/20 0.53
ALOX5 P09917 1/20 0.51

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
SCHEMBL8421061 0.94 PTGS2 (0.88) PTGS2PTGS1AOC3CYP2C9RARA
SCHEMBL4668470 0.93 PTGS2 (0.69) PTGS2PTGS1AOC3CYP2C9RARA
SCHEMBL4907616 0.92 PTGS2 (0.67) PTGS2PTGS1AOC3CYP2C9RARA
SCHEMBL8420266 0.88 PTGS2 (0.79) PTGS2PTGS1CYP2C9RARARARB
SCHEMBL8423870 0.88 PTGS2 (0.79) PTGS2PTGS1AOC3
SCHEMBL8423953 0.88 PTGS2 (0.79) PTGS2PTGS1AOC3
SCHEMBL8420012 0.88 PTGS2 (0.79) PTGS2PTGS1CYP2C9RARARARB
SCHEMBL8421124 0.83 PTGS2 (0.89) PTGS2PTGS1CYP2C9RARARARB
SCHEMBL8420247 0.82 CYP2C9 (0.71) PTGS2PTGS1CYP2C9RARARARB
SCHEMBL14280456 0.81 ALOX5 (0.76) PTGS2PTGS1AOC3CYP2C9ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153569-A1 Novel pyrazole and pyrazoline substituted compounds SMITHKLINE BEECHAM CORPORATION 2003-08-14 US claimed
US-20020156104-A1 CSBP/p38/RK kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-24 US claimed
EP-1583535-A4 METHODS FOR TREATING DIABETES SCIOS INC (US) 2008-03-19 EP disclosed
EP-1583535-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2005-10-12 EP disclosed
US-20040171659-A1 Methods for treating diabetes SCIOS, INC. 2004-09-02 US disclosed
US-6774127-B2 TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION 2004-08-10 US disclosed
WO-2004053107-A2 METHODS FOR TREATING DIABETES SCIOS INC. (US) 2004-06-24 WO disclosed
US-20030153569-A1 Novel pyrazole and pyrazoline substituted compounds SMITHKLINE BEECHAM CORPORATION 2003-08-14 US disclosed
US-20020156104-A1 CSBP/p38/RK kinase inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-24 US disclosed
EP-1023066-A4 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-05-23 EP disclosed
EP-1023066-A1 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-02 EP disclosed
WO-1998056377-A1 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-17 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 (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-20030153569-A1 Novel pyrazole and pyrazoline substituted compounds PDXK, COQ8A, PDK3 PTGS2 3455/4885PTGS1 3580/4885AOC3 2208/4885
US-20040171659-A1 Methods for treating diabetes SLC5A2, MAPK4, MAPK3 PTGS2 315/4885PTGS1 259/4885AOC3 2931/4885
US-20020156104-A1 CSBP/p38/RK kinase inhibitors MAPKAPK2, MAPKAPK3, MAPKAPK5 PTGS2 2606/4885PTGS1 2186/4885AOC3 4679/4885

“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.