SCHEMBL6735176

SCHEMBL6735176

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.39
TYK2 P29597 2/20 0.37
MAP4K4 O95819 1/20 0.36
GSK3A P49840 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
XDH P47989 1/20 0.36
MAOB P27338 1/20 0.35
PDE4A P27815 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX5 P09917 1/20 0.35
PARP1 P09874 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
CDC7 O00311 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
SCHEMBL6729133 0.89 MAPK14 (0.40) TYK2ALDH1A1HPGDALOX5MAPK14
SCHEMBL6723545 0.88 TYK2 (0.38) PIN1TYK2MAP4K4GSK3AKDM5B
SCHEMBL6734877 0.87 ALOX5 (0.39) PIN1TYK2ALDH1A1HPGDALOX5
SCHEMBL6734767 0.86 MAPK14 (0.43) PIN1ALDH1A1HPGDALOX5KDM4E
SCHEMBL6740226 0.86 HPGD (0.49) ALDH1A1HPGDALOX5KDM4EMAPK14
SCHEMBL6736661 0.85 MAPK14 (0.39) TYK2MAOBALDH1A1HPGDALOX5
SCHEMBL6733875 0.85 IDO1 (0.39) PIN1TYK2ALDH1A1HPGDALOX5
SCHEMBL6735423 0.84 ESR1 (0.39) PIN1MAP4K4GSK3AXDHPDE4A
SCHEMBL6732445 0.84 TYK2 (0.34) TYK2ALDH1A1KDM4EMAPK14
SCHEMBL6738801 0.84 CYP11B1 (0.33) TYK2ALDH1A1

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 PIN1 4275/4885TYK2 552/4885MAP4K4 3428/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PIN1 4275/4885TYK2 552/4885MAP4K4 3428/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PIN1 4275/4885TYK2 552/4885MAP4K4 3428/4885

“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.