SCHEMBL6727904

SCHEMBL6727904

CS(=O)(=O)c1c(F)cc(C2=C(c3cccc(Cl)c3)C=CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.35
PTGS1 P23219 6/20 0.34
CASP1 P29466 1/20 0.34
CHRM1 P11229 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SCD O00767 1/20 0.32
CCR2 P41597 1/20 0.32

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
SCHEMBL6729325 0.88 PTGS2 (0.43) PTGS2PTGS1SCD
SCHEMBL6732767 0.87 CASP1 (0.36) PTGS2PTGS1CASP1
SCHEMBL6732660 0.86 PDE3B (0.36) PTGS2PTGS1CASP1
SCHEMBL6734381 0.86 PTGS2 (0.38) PTGS2PTGS1CASP1
SCHEMBL6737041 0.86 PTGS2 (0.34) PTGS2PTGS1CASP1
SCHEMBL6735615 0.86 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6777755 0.85 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL6728560 0.84 PTGS2 (0.41) PTGS2PTGS1CASP1
SCHEMBL6788149 0.83 KDM4E (0.39) PTGS2
SCHEMBL6739567 0.82 PTGS2 (0.43) PTGS2PTGS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138261-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-07-15 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 PTGS2 10/4885PTGS1 4/4885CASP1 29/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CASP1 29/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885PTGS1 4/4885CASP1 29/4885

“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.