SCHEMBL6736099

SCHEMBL6736099

Cc1cccc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 5/20 0.45
CYP2A6 P11509 1/20 0.45
RPS6KA3 P51812 11/20 0.44
PTGS2 P35354 1/20 0.41
SLC22A12 Q96S37 1/20 0.39

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 0.86 TGFBR1 (0.46) TGFBR1CYP2A6RPS6KA3PTGS2SLC22A12
SCHEMBL6727975 0.81 RPS6KA3 (0.69) RPS6KA3PTGS2SLC22A12
SCHEMBL6732861 0.81 TGFBR1 (0.43) TGFBR1CYP2A6PTGS2
SCHEMBL6735985 0.80 CYP2A6 (0.41) TGFBR1CYP2A6RPS6KA3PTGS2SLC22A12
SCHEMBL6731479 0.80 RPS6KA3 (0.41) RPS6KA3PTGS2
SCHEMBL6728690 0.80 RPS6KA3 (0.63) RPS6KA3PTGS2SLC22A12
SCHEMBL6733560 0.80 RPS6KA3 (0.53) RPS6KA3PTGS2SLC22A12
SCHEMBL6718301 0.80 TGFBR1 (0.45) TGFBR1CYP2A6RPS6KA3PTGS2SLC22A12
SCHEMBL6735867 0.79 RPS6KA3 (0.44) RPS6KA3PTGS2SLC22A12
SCHEMBL6736797 0.79 SLC22A12 (0.58) RPS6KA3PTGS2SLC22A12

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 TGFBR1 1183/4885CYP2A6 574/4885RPS6KA3 1600/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TGFBR1 1183/4885CYP2A6 574/4885RPS6KA3 1600/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 TGFBR1 1183/4885CYP2A6 574/4885RPS6KA3 1600/4885

“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.