SCHEMBL6737558

SCHEMBL6737558

Cc1cc(-c2[nH]c(C(F)F)nc2-c2cc(F)c(S(C)(=O)=O)cc2F)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.33
TYK2 P29597 9/20 0.33
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGS1 P23219 3/20 0.31
TYMP P19971 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
SCHEMBL6738743 0.92 PTGS2 (0.33) PTGS2TYK2ALOX5KDM4EALDH1A1
SCHEMBL6740304 0.92 ALOX5 (0.33) PTGS2TYK2ALOX5KDM4EALDH1A1
SCHEMBL6729810 0.91 PTGS2 (0.42) PTGS2TYK2ALOX5KDM4EALDH1A1
SCHEMBL6735745 0.91 PTGS2 (0.42) PTGS2TYK2ALOX5KDM4EALDH1A1
SCHEMBL6740179 0.89 PTGS2 (0.34) PTGS2TYK2ALOX5KDM4EALDH1A1
SCHEMBL6739821 0.88 PTGS2 (0.45) PTGS2TYK2ALOX5PTGS1
SCHEMBL6722696 0.88 PIK3CD (0.36) PTGS2TYK2ALOX5KDM4EALDH1A1
SCHEMBL6728986 0.88 ALOX5 (0.36) PTGS2ALOX5ALDH1A1PTGS1
SCHEMBL6732359 0.86 ALOX5 (0.35) PTGS2ALOX5KDM4EALDH1A1LMNA
SCHEMBL6734417 0.86 ALDH1A1 (0.41) PTGS2TYK2ALOX5KDM4EALDH1A1

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 PTGS2 10/4885TYK2 552/4885ALOX5 165/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885TYK2 552/4885ALOX5 165/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 PTGS2 10/4885TYK2 552/4885ALOX5 165/4885

“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.