SCHEMBL6732158

SCHEMBL6732158

Cc1cc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)ccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 9/20 0.44
SLC22A12 Q96S37 3/20 0.44
PTGS2 P35354 1/20 0.44
CYP11B1 P15538 6/20 0.40
CYP11B2 P19099 6/20 0.40
KDM4E B2RXH2 1/20 0.37
PDE5A O76074 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL6739061 0.91 RPS6KA3 (0.44) RPS6KA3SLC22A12PTGS2CYP11B1CYP11B2
SCHEMBL7114976 0.89 SLC22A12 (0.47) RPS6KA3SLC22A12PTGS2CYP11B1CYP11B2
SCHEMBL6732682 0.86 RPS6KA3 (0.50) RPS6KA3SLC22A12PTGS2PTGS1
SCHEMBL6735040 0.86 RPS6KA3 (0.50) RPS6KA3SLC22A12PTGS2PTGS1
SCHEMBL6732040 0.85 RPS6KA3 (0.51) RPS6KA3SLC22A12PTGS2
SCHEMBL6735012 0.84 SLC22A12 (0.54) RPS6KA3SLC22A12PTGS2CYP11B1CYP11B2
SCHEMBL6729526 0.83 RPS6KA3 (0.47) RPS6KA3SLC22A12PTGS2PTGS1
SCHEMBL6734648 0.83 PTGS2 (0.52) RPS6KA3PTGS2PTGS1
SCHEMBL6733436 0.83 PTGS2 (0.45) RPS6KA3SLC22A12PTGS2CYP11B1CYP11B2
SCHEMBL6725817 0.83 SLC22A12 (0.43) RPS6KA3SLC22A12PTGS2CYP11B1CYP11B2

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 RPS6KA3 1600/4885SLC22A12 4211/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885SLC22A12 4211/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 RPS6KA3 1600/4885SLC22A12 4211/4885PTGS2 10/4885

“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.