SCHEMBL6167941

SCHEMBL6167941

Cc1onc(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 1.00
MT-CO2 P00403 3/20 0.59
PTGS1 P23219 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
LMNA P02545 1/20 0.59
CA3 P07451 1/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
CYP3A4 P08684 1/20 0.59
ADORA3 P0DMS8 1/20 0.59
CHRM1 P11229 1/20 0.59
ADRA2B P18089 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
SLC6A2 P23975 1/20 0.59
PDE4A P27815 1/20 0.59
ADORA1 P30542 1/20 0.59
CA5A P35218 1/20 0.59

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
SCHEMBL4587749 1.00 PTGS2 (1.00) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6171081 0.88 PTGS2 (0.79) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL4800858 0.87 PTGS2 (1.00) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL14267686 0.87 PTGS2 (1.00) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL5703656 0.87 PTGS2 (0.77) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL14267653 0.87 PTGS2 (0.77) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6513666 0.86 PTGS2 (0.75) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6172125 0.86 PTGS2 (0.75) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6171538 0.85 PTGS2 (0.74) PTGS2MT-CO2PTGS1CA12CA1
SCHEMBL6169982 0.83 PTGS2 (0.76) PTGS2MT-CO2PTGS1CA12CA1

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
US-7329401-B2 Cyclooxygenase-2 selective agents useful as imaging probes and related methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-12 US disclosed
US-20070286801-A1 CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-13 US disclosed
CN-1214790-C Medicinal composition for treating inflammation SEARLE & CO (US) 2005-08-17 CN disclosed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP disclosed
CN-1442139-A Medicinal composition for treating inflammation SEARLE & CO (US) 2003-09-17 CN disclosed
CN-1107058-C Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 2003-04-30 CN disclosed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP disclosed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US disclosed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US disclosed
CN-1181075-A Substituted isoxazoles for the treatment of disorders SEARLE & CO (US) 1998-05-06 CN disclosed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP disclosed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US disclosed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 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 (1 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-20070286801-A1 CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS PTGS2, PTGES2, PTGER2 PTGS2 1/4885MT-CO2 520/4885PTGS1 4/4885

“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.