SCHEMBL6729657

SCHEMBL6729657

CS(=O)(=O)c1c(F)cc(-c2nc(C(F)(F)F)[nH]c2-c2cccc(OC(F)(F)F)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.41
XDH P47989 1/20 0.40
GSK3B P49841 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DHODH Q02127 3/20 0.38
PTGES O14684 1/20 0.37
PTGS1 P23219 1/20 0.37
KDM5A P29375 1/20 0.36
SDHB P21912 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6737154 0.89 ESR1 (0.41) MAPK14KCNH2SCN10AESR1ESR2
SCHEMBL6726335 0.88 MAPK14 (0.43) MAPK14XDHGSK3BKCNH2SCN10A
SCHEMBL6734127 0.86 MAPK14 (0.40) MAPK14XDHGSK3BKCNH2SCN10A
SCHEMBL6740094 0.85 SDHB (0.44) MAPK14ESR1ESR2PTGS1SDHB
SCHEMBL6733459 0.85 MAPK14 (0.46) MAPK14XDHGSK3BCYP1A2CYP3A4
SCHEMBL6736231 0.85 ESR1 (0.54) MAPK14ESR1ESR2PTGS1SDHB
SCHEMBL6735783 0.84 ESR1 (0.41) MAPK14ESR1ESR2PTGS1MAPT
SCHEMBL6738824 0.84 ESR1 (0.41) MAPK14ESR1ESR2PTGS1ALDH1A1
SCHEMBL6728551 0.83 KCNH2 (0.40) MAPK14XDHGSK3BKCNH2SCN10A
SCHEMBL6734897 0.83 SCN5A (0.36) ESR1ESR2PTGS1

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 MAPK14 2311/4885XDH 219/4885GSK3B 3994/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885XDH 219/4885GSK3B 3994/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 MAPK14 2311/4885XDH 219/4885GSK3B 3994/4885

“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.