SCHEMBL6739064

SCHEMBL6739064

Cc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTGS2 P35354 11/20 0.39
PTGS1 P23219 6/20 0.39
TGFBR1 P36897 3/20 0.36
KIF11 P52732 1/20 0.34
BRAF P15056 1/20 0.34
CASP1 P29466 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK14 Q16539 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
SCHEMBL6737489 0.93 PTGS2 (0.43) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6735978 0.91 KIF11 (0.41) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6736600 0.91 ESR1 (0.39) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6734647 0.90 PTGS2 (0.42) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6733739 0.90 ESR1 (0.38) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6734278 0.90 PTGS2 (0.42) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6737046 0.90 ESR1 (0.38) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6729665 0.90 ESR1 (0.42) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6729765 0.88 ESR1 (0.44) ESR1ESR2PTGS2PTGS1TGFBR1
SCHEMBL6719155 0.88 ESR1 (0.39) ESR1ESR2PTGS2PTGS1TGFBR1

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 ESR1 1259/4885ESR2 201/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885PTGS2 10/4885

“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.