SCHEMBL5315322

SCHEMBL5315322

CC(C)CNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.73
PTGS1 P23219 9/20 0.71

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
SCHEMBL7591368 0.88 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5785800 0.82 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5788345 0.81 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL24335036 0.81 PTGS2 (0.83) PTGS2PTGS1
SCHEMBL5787610 0.81 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5675569 0.80 PTGS2 (0.94) PTGS2PTGS1
SCHEMBL5790839 0.79 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL5789241 0.79 MAPT (0.83) PTGS2PTGS1
SCHEMBL5787163 0.79 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL5787875 0.78 PTGS2 (0.78) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235812-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LTD (GB) 2006-02-01 EP claimed
US-20040192694-A1 Use of COX-2 inhibitors as gastroprokinetics MANGEL ALLEN WAYNE (US) 2004-09-30 US claimed
US-6780869-B1 SELECTIVE INHIBITOR OF COX-2; ANTIINFLAMMATORY AGENT SMITHKLINE BEECHAM CORPORATION 2004-08-24 US claimed
JP-2003521516-A 2003-07-15 JP claimed
CN-1399633-A Pyrimidine derivatives GLAXO GROUP LTD (GB) 2003-02-26 CN claimed
US-20030022897-A1 Use of cox-2 inhibitors as gastroprokinetics SMITHKLINE BEECHAM CORPORATION 2003-01-30 US 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
EP-1235812-A2 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2002-09-04 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-2001038311-A2 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2001-05-31 WO claimed
US-20070166336-A1 Stable and palatable oral liquid sumatriptan compositions WOCKHARDT EU OPERATIONS (SWISS) AG (CH) 2007-07-19 US disclosed
WO-2007070504-A2 STABLE AND PALATABLE ORAL LIQUID SUMATRIPTAN COMPOSITIONS MORTON GROVE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed
EP-1235812-B1 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LTD (GB) 2006-02-01 EP disclosed
EP-1235812-A2 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2002-09-04 EP disclosed
WO-2001056573-A1 USE OF COX-2 INHIBITORS AS GASTROPROKINETICS GLAXO GROUP LIMITED (GB) 2001-08-09 WO disclosed
WO-2001056555-A2 USE OF COX-2 INHIBITORS FOR THE TREATMENT OF CONSTIPATION GLAXO GROUP LIMITED (GB) 2001-08-09 WO disclosed
WO-2001038311-A2 PYRIMIDINE DERIVATIVES AS SELECTIVE INHIBITORS OF COX-2 GLAXO GROUP LIMITED (GB) 2001-05-31 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 (4 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 PTGS2 1/4885PTGS1 5/4885
US-20030022897-A1 Use of cox-2 inhibitors as gastroprokinetics PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885
US-20030013717-A1 Use of cox-2 inhibitors for constipation PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 5/4885
US-20070166336-A1 Stable and palatable oral liquid sumatriptan compositions TAS2R39, TAS2R9, TAS2R8 PTGS2 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.