SCHEMBL6728573

SCHEMBL6728573

Cc1cc(C)cc(-c2[nH]c(C(F)F)nc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
CASP1 P29466 1/20 0.34
PTGS1 P23219 4/20 0.34
PTGS2 P35354 4/20 0.34
MAPK14 Q16539 5/20 0.33
HPGD P15428 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CYP3A4 P08684 2/20 0.32
CSNK1D P48730 2/20 0.31
CSNK1E P49674 2/20 0.31
TYK2 P29597 2/20 0.31
ALOX5 P09917 2/20 0.31
CSNK1A1 P48729 1/20 0.31
MAPK11 Q15759 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CSNK1A1L Q8N752 1/20 0.31
TGFBR1 P36897 1/20 0.30

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
SCHEMBL6733298 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ELMNAKMT2APTGS1
SCHEMBL6734767 0.90 MAPK14 (0.43) ALDH1A1KDM4EMAPK14HPGDCSNK1D
SCHEMBL6731970 0.90 PTGS2 (0.33) ALDH1A1KDM4ELMNAKMT2ACASP1
SCHEMBL6735168 0.89 PTGS1 (0.37) ALDH1A1KDM4ELMNAKMT2ACASP1
SCHEMBL6729768 0.87 PTGS2 (0.37) ALDH1A1KDM4ELMNAKMT2ACASP1
SCHEMBL6734220 0.86 CASP1 (0.39) ALDH1A1KDM4ECASP1PTGS1PTGS2
SCHEMBL6740190 0.86 PTGS1 (0.36) ALDH1A1KDM4ECASP1PTGS1PTGS2
SCHEMBL6740226 0.86 HPGD (0.49) ALDH1A1KDM4EPTGS1PTGS2MAPK14
SCHEMBL6731818 0.86 PTGS2 (0.38) ALDH1A1KDM4ELMNAKMT2ACASP1
SCHEMBL6737269 0.86 PTGS2 (0.49) ALDH1A1PTGS1PTGS2MAPK14CYP3A4

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 ALDH1A1 434/4885KDM4E 3382/4885LMNA 2247/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ALDH1A1 434/4885KDM4E 3382/4885LMNA 2247/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 ALDH1A1 434/4885KDM4E 3382/4885LMNA 2247/4885

“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.