SCHEMBL5366953

SCHEMBL5366953

NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nn3cc(C(F)(F)F)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.54
PTGS2 P35354 14/20 0.52
PTGS1 P23219 11/20 0.51
CYP2C9 P11712 1/20 0.44
PDPK1 O15530 3/20 0.43
KIF11 P52732 1/20 0.43
EPHX2 P34913 1/20 0.40

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
SCHEMBL5373901 0.90 PTGS2 (0.59) MAPK14PTGS2PTGS1
SCHEMBL5365383 0.88 MAPK14 (0.57) MAPK14PTGS2PTGS1CYP2C9PDPK1
SCHEMBL5368809 0.88 MAPK14 (0.69) MAPK14PTGS2PTGS1CYP2C9PDPK1
SCHEMBL5377634 0.85 PTGS2 (0.53) MAPK14PTGS2PTGS1CYP2C9PDPK1
SCHEMBL6595243 0.85 MAPK14 (0.53) MAPK14PTGS2PTGS1PDPK1
SCHEMBL6594766 0.85 MAPK14 (0.49) MAPK14PTGS2PTGS1
SCHEMBL5377150 0.84 MAPK14 (0.48) MAPK14PTGS2PTGS1
SCHEMBL5373852 0.83 MAPK14 (0.48) MAPK14PTGS2PTGS1
SCHEMBL5365336 0.83 MAPK14 (0.56) MAPK14PTGS2PTGS1CYP2C9PDPK1
SCHEMBL5368804 0.82 MAPK14 (0.47) MAPK14PTGS2PTGS1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223772-B1 Pyrazolopyridine derivatives as selective cox-2 inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-05-29 US claimed
US-20040192694-A1 Use of COX-2 inhibitors as gastroprokinetics MANGEL ALLEN WAYNE (US) 2004-09-30 US claimed
EP-1127058-B1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LTD (GB) 2004-09-01 EP claimed
US-6756498-B2 REARRANGEMENT OF AZIRINE COMPOUND OR PROTECTED DERIVATIVE THEREOF IN PRESENCE OF TRANSITION METAL CATALYST AND SOLVENT TO PRODUCE PYRAZOLOPYRIDINE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2004-06-29 US claimed
EP-1276742-B1 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2004-06-09 EP claimed
US-20030212275-A1 PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2003-11-13 US claimed
JP-2003521516-A 2003-07-15 JP claimed
US-20030022897-A1 Use of cox-2 inhibitors as gastroprokinetics SMITHKLINE BEECHAM CORPORATION 2003-01-30 US claimed
EP-1276742-A2 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2003-01-22 EP claimed
US-20030013717-A1 Use of cox-2 inhibitors for constipation GLAXO GROUP LIMITED (GB) 2003-01-16 US claimed
EP-1259239-A2 USE OF COX-2 INHIBITORS AS GASTROPROKINETICS GLAXO GROUP LIMITED (GB) 2002-11-27 EP claimed
EP-1251839-A2 USE OF COX-2 INHIBITORS FOR THE TREATMENT OF CONSTIPATION GLAXO GROUP LIMITED (GB) 2002-10-30 EP claimed
WO-2001083479-A2 PROCESS FOR THE PREPARATION OF PYRAZOLOPYRIDINE DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-11-08 WO claimed
EP-1127058-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2001-08-29 EP claimed
WO-2001056573-A1 USE OF COX-2 INHIBITORS AS GASTROPROKINETICS GLAXO GROUP LIMITED (GB) 2001-08-09 WO claimed
WO-2001056555-A2 USE OF COX-2 INHIBITORS FOR THE TREATMENT OF CONSTIPATION GLAXO GROUP LIMITED (GB) 2001-08-09 WO claimed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 WO claimed
US-20070166336-A1 Stable and palatable oral liquid sumatriptan compositions WOCKHARDT EU OPERATIONS (SWISS) AG (CH) 2007-07-19 US disclosed
WO-2001056573-A1 USE OF COX-2 INHIBITORS AS GASTROPROKINETICS GLAXO GROUP LIMITED (GB) 2001-08-09 WO disclosed
WO-2000026216-A1 PYRAZOLOPYRIDINE DERIVATIVES AS SELECTIVE COX-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2000-05-11 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 (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-20040192694-A1 Use of COX-2 inhibitors as gastroprokinetics PTGS2, PTGES2, PTGER2 MAPK14 1291/4885PTGS2 1/4885PTGS1 5/4885
US-20030022897-A1 Use of cox-2 inhibitors as gastroprokinetics PTGS2, PTGES2, PTGER2 MAPK14 1291/4885PTGS2 1/4885PTGS1 5/4885
US-20030013717-A1 Use of cox-2 inhibitors for constipation PTGS2, PTGES2, PTGER2 MAPK14 1712/4885PTGS2 1/4885PTGS1 5/4885
US-20030212275-A1 PROCESS FOR THE PREPARATION OF CHEMICAL COMPOUNDS CBR1, C1R, CBR3 MAPK14 3024/4885PTGS2 3374/4885PTGS1 2224/4885
US-20070166336-A1 Stable and palatable oral liquid sumatriptan compositions TAS2R39, TAS2R9, TAS2R8 MAPK14 2282/4885PTGS2 722/4885PTGS1 590/4885

“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.