SCHEMBL6735985

SCHEMBL6735985

Cc1cccc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)cc2F)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.41
PTGS2 P35354 1/20 0.40
TGFBR1 P36897 8/20 0.40
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
SLC22A12 Q96S37 1/20 0.36
SIK1 P57059 1/20 0.35
SIK2 Q9H0K1 1/20 0.35
SIK3 Q9Y2K2 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TGFBR2 P37173 4/20 0.34
CCR1 P32246 1/20 0.34
CCR8 P51685 1/20 0.34
RPS6KA3 P51812 1/20 0.34
CYP17A1 P05093 1/20 0.34
GPR119 Q8TDV5 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
SCHEMBL7045231 0.85 TGFBR1 (0.46) CYP2A6PTGS2TGFBR1NR1H2NR1H3
SCHEMBL6735782 0.81 PTGS2 (0.40) PTGS2NR1H2NR1H3KDM4EMAPT
SCHEMBL6732685 0.80 RPS6KA3 (0.56) PTGS2NR1H2NR1H3SLC22A12RPS6KA3
SCHEMBL6736099 0.80 TGFBR1 (0.45) CYP2A6PTGS2TGFBR1SLC22A12RPS6KA3
SCHEMBL6741149 0.80 PTGS2 (0.43) PTGS2NR1H2NR1H3SLC22A12CYP17A1
SCHEMBL6739704 0.79 RPS6KA3 (0.50) PTGS2NR1H2NR1H3SLC22A12RPS6KA3
SCHEMBL6735150 0.79 PTGS2 (0.40) CYP2A6PTGS2TGFBR1TGFBR2
SCHEMBL6732542 0.79 SLC22A12 (0.56) PTGS2NR1H2NR1H3SLC22A12RPS6KA3
SCHEMBL6732390 0.78 PTGS2 (0.49) PTGS2NR1H2NR1H3SLC22A12RPS6KA3
SCHEMBL6735761 0.78 PTGS2 (0.46) PTGS2NR1H2NR1H3SLC22A12RPS6KA3

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 CYP2A6 574/4885PTGS2 10/4885TGFBR1 1183/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CYP2A6 574/4885PTGS2 10/4885TGFBR1 1183/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CYP2A6 574/4885PTGS2 10/4885TGFBR1 1183/4885

“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.