SCHEMBL6729316

SCHEMBL6729316

Cc1cc(C)cc(C2=C(c3cc(F)c(S(N)(=O)=O)cc3F)COC2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.46
PTGS1 P23219 12/20 0.43
PGR P06401 1/20 0.36
NR3C2 P08235 1/20 0.36
ABCB11 O95342 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MT-CO2 P00403 1/20 0.34
HTR1A P08908 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
MC4R P32245 1/20 0.34

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
SCHEMBL6739149 0.91 PTGS2 (0.44) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6732591 0.91 PTGS2 (0.58) PTGS2PTGS1PGRNR3C2ABCB11
SCHEMBL6741086 0.89 PTGS2 (0.47) PTGS2PTGS1ABCB11ALDH1A1MT-CO2
SCHEMBL6729196 0.88 PTGS1 (0.48) PTGS2PTGS1PGRNR3C2
SCHEMBL6729240 0.88 PTGS2 (0.42) PTGS2PTGS1PGRNR3C2
SCHEMBL6738808 0.87 PTGS2 (0.48) PTGS2PTGS1PGRNR3C2ALDH1A1
SCHEMBL6733744 0.86 PTGS2 (0.46) PTGS2PTGS1PGRNR3C2
SCHEMBL6739165 0.86 PTGS2 (0.47) PTGS2PTGS1PGRNR3C2
SCHEMBL6733813 0.86 PTGS2 (0.43) PTGS2PTGS1PGRNR3C2
SCHEMBL6739023 0.86 PTGS2 (0.43) PTGS2PTGS1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US 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 4/4885PGR 2612/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885PGR 2612/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885PGR 2612/4885

“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.