SCHEMBL6735304

SCHEMBL6735304

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
SCD O00767 4/20 0.39
FADS1 O60427 1/20 0.39
PTGS2 P35354 2/20 0.38
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
MAPK14 Q16539 6/20 0.36
CASP1 P29466 1/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1E P49674 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SDHB P21912 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
SCHEMBL6736231 0.88 ESR1 (0.54) ESR1ESR2PTGS2ALOX5ALDH1A1
SCHEMBL6733661 0.88 PTGS2 (0.40) ESR1ESR2PTGS2ALOX5MAPK14
SCHEMBL6732664 0.86 MAPK14 (0.38) ESR1ESR2PTGS2MAPK14CASP1
SCHEMBL7087414 0.85 PTGS2 (0.49) ESR1ESR2SCDFADS1PTGS2
SCHEMBL6729665 0.83 ESR1 (0.42) ESR1ESR2PTGS2ALOX5ALDH1A1
SCHEMBL6728463 0.83 PTGS2 (0.49) ESR1ESR2PTGS2ALOX5ALDH1A1
SCHEMBL6729275 0.83 ESR1 (0.39) ESR1ESR2PTGS2ALOX5ALDH1A1
SCHEMBL6739212 0.82 ESR1 (0.44) ESR1ESR2PTGS2ALOX5ALDH1A1
SCHEMBL6736195 0.82 ESR1 (0.44) ESR1ESR2PTGS2ALOX5ALDH1A1
SCHEMBL6729765 0.82 ESR1 (0.44) ESR1ESR2PTGS2ALOX5ALDH1A1

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 201/4885SCD 1957/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885SCD 1957/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885SCD 1957/4885

“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.