SCHEMBL6729969

SCHEMBL6729969

Cc1onc(-c2cccc(Cl)c2)c1-c1cc(F)c(S(C)(=O)=O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.57
PTGS1 P23219 5/20 0.57
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
GPBAR1 Q8TDU6 2/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.41
BRD4 O60885 1/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 2/20 0.38
GAA P10253 2/20 0.38
GHSR Q92847 1/20 0.38
CA12 O43570 1/20 0.38
MT-CO2 P00403 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38

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
SCHEMBL6737313 0.90 PTGS2 (0.56) PTGS2PTGS1RAB9AKMT2AGPBAR1
SCHEMBL6735990 0.90 PTGS2 (0.44) PTGS2PTGS1RAB9AKMT2AALDH1A1
SCHEMBL6735428 0.89 PTGS2 (0.44) PTGS2PTGS1RAB9AKMT2AGPBAR1
SCHEMBL6732402 0.89 PTGS2 (0.47) PTGS2PTGS1GPBAR1ALDH1A1BRD4
SCHEMBL6736961 0.87 PTGS2 (0.51) PTGS2PTGS1GPBAR1ALDH1A1MAPT
SCHEMBL6733855 0.87 RAB9A (0.43) PTGS2PTGS1RAB9AKMT2AGPBAR1
SCHEMBL6735895 0.87 PTGS2 (0.52) PTGS2PTGS1KMT2AALDH1A1MAPT
SCHEMBL6733247 0.87 PTGS2 (0.43) PTGS2PTGS1ALDH1A1CA12MT-CO2
SCHEMBL6729830 0.87 PTGS2 (0.60) PTGS2PTGS1RAB9AKMT2AGPBAR1
SCHEMBL6734239 0.86 RAB9A (0.43) PTGS2PTGS1RAB9AKMT2AGPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US claimed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US claimed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US claimed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US claimed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP claimed
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 US disclosed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed
US-6673818-B2 TREATING CYCLOOXYGENASE-2 MEDIATED DISORDERS, SUCH AS ARTHRITIS, PAIN, FEVER AND CANCER PHARMACIA CORPORATION 2004-01-06 US disclosed
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-08-07 US disclosed
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-02-13 US disclosed
EP-1251126-A2 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation Pharmacia Corporation (US) 2002-10-23 EP 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-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885RAB9A 4116/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885RAB9A 4116/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885RAB9A 4116/4885

“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.