Sugi Predict

Sugi Predict / Compounds / SCHEMBL6728875

SCHEMBL6728875

SCHEMBL6728875

Cc1ccc(-c2ccncc2-c2cc(F)c(S(C)(=O)=O)c(F)c2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.47
▸ RPS6KA3 P51812 9/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ CYP17A1 P05093 1/20 0.42
▸ KIF11 P52732 1/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.39
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ SLC22A12 Q96S37 2/20 0.38
▸ KLRK1 P26718 1/20 0.37
▸ MICA Q29983 1/20 0.37
▸ RAET1L Q5VY80 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
SCHEMBL6729024 0.91 RPS6KA3 (0.45) RPS6KA3PTGS2CYP17A1KIF11NR1H2
SCHEMBL7106731 0.89 S1PR1 (0.47) S1PR1RPS6KA3PTGS2CYP17A1KIF11
SCHEMBL6732040 0.88 RPS6KA3 (0.51) RPS6KA3PTGS2CYP17A1SLC22A12
SCHEMBL6735040 0.87 RPS6KA3 (0.50) RPS6KA3PTGS2CYP17A1SLC22A12
SCHEMBL6732682 0.84 RPS6KA3 (0.50) RPS6KA3PTGS2CYP17A1SLC22A12
SCHEMBL6733147 0.84 RPS6KA3 (0.47) RPS6KA3PTGS2CYP17A1SLC22A12
SCHEMBL6731945 0.84 PTGS2 (0.52) RPS6KA3PTGS2
SCHEMBL6733816 0.84 RPS6KA3 (0.43) RPS6KA3PTGS2CYP17A1GPBAR1SLC22A12
SCHEMBL6730083 0.83 SLC22A12 (0.55) RPS6KA3PTGS2KIF11GPBAR1SLC22A12
SCHEMBL6736727 0.83 RPS6KA3 (0.50) 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 S1PR1 297/4885RPS6KA3 1600/4885PTGS2 10/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 S1PR1 297/4885RPS6KA3 1600/4885PTGS2 10/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 S1PR1 297/4885RPS6KA3 1600/4885PTGS2 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.