SCHEMBL6736231

SCHEMBL6736231

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)(F)F)[nH]c2-c2ccccc2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.54
ESR2 Q92731 1/20 0.54
HPGD P15428 3/20 0.49
ALDH1A1 P00352 1/20 0.49
PTGS1 P23219 5/20 0.44
PTGS2 P35354 5/20 0.44
MEN1 O00255 1/20 0.40
S1PR4 O95977 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
S1PR1 P21453 1/20 0.40
SDHB P21912 1/20 0.40
MAPK1 P28482 1/20 0.40
STAT3 P40763 1/20 0.40
STAT1 P42224 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6728463 0.90 PTGS2 (0.49) ESR1ESR2ALDH1A1PTGS1PTGS2
SCHEMBL6739212 0.89 ESR1 (0.44) ESR1ESR2HPGDALDH1A1PTGS1
SCHEMBL6729765 0.89 ESR1 (0.44) ESR1ESR2HPGDALDH1A1PTGS1
SCHEMBL6736195 0.89 ESR1 (0.44) ESR1ESR2HPGDALDH1A1PTGS1
SCHEMBL6740094 0.89 SDHB (0.44) ESR1ESR2HPGDALDH1A1PTGS1
SCHEMBL6733459 0.89 MAPK14 (0.46) ESR1ESR2HPGDALDH1A1PTGS2
SCHEMBL6735038 0.88 PTGS1 (0.47) ESR1ESR2ALDH1A1PTGS1PTGS2
SCHEMBL6735304 0.88 ESR1 (0.41) ESR1ESR2HPGDALDH1A1PTGS2
SCHEMBL6729665 0.88 ESR1 (0.42) ESR1ESR2HPGDALDH1A1PTGS1
SCHEMBL6729275 0.88 ESR1 (0.39) ESR1ESR2HPGDALDH1A1PTGS1

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 201/4885HPGD 917/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885HPGD 917/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ESR1 1259/4885ESR2 201/4885HPGD 917/4885

“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.