SCHEMBL6735316

SCHEMBL6735316

Cc1cccc(C2=C(c3cc(F)c(S(C)(=O)=O)c(F)c3)CC=C2)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.35
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
THRB P10828 2/20 0.33
PTGS2 P35354 1/20 0.33
CASP1 P29466 1/20 0.33
CYP2A6 P11509 1/20 0.33
KDM4E B2RXH2 4/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 3/20 0.31
GHSR Q92847 2/20 0.31
HPGD P15428 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
HSD11B1 P28845 1/20 0.31
KDR P35968 2/20 0.31
MAPK14 Q16539 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL6732660 0.80 PDE3B (0.36) PTGS2CASP1
SCHEMBL6732406 0.80 CCR1 (0.33) TGFBR1CCR1CCR8THRBPTGS2
SCHEMBL6739497 0.79 HPGD (0.36) PTGS2CASP1KDM4EGAAALDH1A1
SCHEMBL6737041 0.79 PTGS2 (0.34) PTGS2CASP1KDM4EGAAALDH1A1
SCHEMBL6729325 0.78 PTGS2 (0.43) PTGS2
SCHEMBL6729355 0.78 PTGS2 (0.41) PTGS2CASP1KDM4EALDH1A1LMNA
SCHEMBL6733390 0.78 PDE3B (0.39) PTGS2CASP1
SCHEMBL6730758 0.77 TYK2 (0.33) CASP1GLA
SCHEMBL6729559 0.77 PTGS2 (0.35) PTGS2HSD11B1
SCHEMBL6734049 0.76 CASP1 (0.32) PTGS2CASP1

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 TGFBR1 1183/4885CCR1 38/4885CCR8 234/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TGFBR1 1183/4885CCR1 38/4885CCR8 234/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TGFBR1 1183/4885CCR1 38/4885CCR8 234/4885

“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.