SCHEMBL4907616

SCHEMBL4907616

CS(=O)(=O)c1ccc(-c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1.C[S+]([O-])c1ccc(-c2cc(-c3ccncc3)n(-c3ccc(F)cc3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.67
PTGS1 P23219 2/20 0.56
AOC3 Q16853 1/20 0.52
RARA P10276 3/20 0.46
RARB P10826 3/20 0.46
RARG P13631 3/20 0.46
RXRA P19793 3/20 0.46
CYP2C9 P11712 2/20 0.46

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
SCHEMBL4593759 0.92 PTGS2 (0.79) PTGS2PTGS1AOC3RARARARB
SCHEMBL4592735 0.92 PTGS2 (0.53) PTGS2PTGS1AOC3CYP2C9
SCHEMBL8421061 0.86 PTGS2 (0.88) PTGS2PTGS1AOC3RARARARB
SCHEMBL4668470 0.85 PTGS2 (0.69) PTGS2PTGS1AOC3RARARARB
SCHEMBL6261746 0.83 PTGS2 (0.47) PTGS2PTGS1AOC3RARARARB
SCHEMBL4592500 0.83 PTGS2 (0.47) PTGS2PTGS1AOC3RARARARB
SCHEMBL8420012 0.81 PTGS2 (0.79) PTGS2PTGS1RARARARBRARG
SCHEMBL8420266 0.81 PTGS2 (0.79) PTGS2PTGS1RARARARBRARG
SCHEMBL8423953 0.81 PTGS2 (0.79) PTGS2PTGS1AOC3
SCHEMBL8423870 0.81 PTGS2 (0.79) PTGS2PTGS1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023066-A4 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2001-05-23 EP claimed
EP-1023066-A1 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-08-02 EP claimed
WO-1998056377-A1 NOVEL PYRAZOLE AND PYRAZOLINE SUBSTITUTED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-12-17 WO claimed
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS PROTTER ANDREW A 2008-05-08 US disclosed
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase PROTTER ANDREW A 2008-02-14 US disclosed
US-7268139-B2 Methods of promoting osteogenesis SCIOS, INC. (US) 2007-09-11 US disclosed
US-7244441-B2 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. (US) 2007-07-17 US disclosed
EP-1676574-A2 Methods for promoting survival of transplanted tissues and cells Johnson & Johnson Vision Care, Inc. (US) 2006-07-05 EP disclosed
US-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase SCIOS INC. 2006-01-26 US disclosed
US-20050129729-A1 Stents and intra-luminal prostheses containing map kinase inhibitors SCIOS, INC. 2005-06-16 US disclosed
US-20040162289-A1 Methods of promoting osteogenesis UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY 2004-08-19 US disclosed
WO-2004019873-A9 METHODS OF PROMOTING OSTEOGENESIS SCIOS INC (US) 2004-06-24 WO disclosed
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase SCIOS, INC. 2004-06-24 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 (5 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-20060019971-A1 Treatment of cardiovascular disease with inhibitors of p38 kinase MAPKAPK5, MAPK1, MAPKAPK2 PTGS2 277/4885PTGS1 180/4885AOC3 2786/4885
US-20080108658-A1 METHODS OF PROMOTING OSTEOGENESIS MAPK1, BMP2, MAPK3 PTGS2 919/4885PTGS1 449/4885AOC3 1565/4885
US-20040162289-A1 Methods of promoting osteogenesis MAPK1, BMP2, MAPK3 PTGS2 919/4885PTGS1 449/4885AOC3 1565/4885
US-20040122008-A1 Treatment of pain by inhibition of p38 MAP kinase OPRK1, OPRL1, MAPK3 PTGS2 70/4885PTGS1 47/4885AOC3 3847/4885
US-20080039461-A1 Treatment of pain by inhibition of p38 map kinase OPRK1, OPRL1, MAPK3 PTGS2 70/4885PTGS1 47/4885AOC3 3847/4885

“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.