SCHEMBL6739256

SCHEMBL6739256

CS(=O)(=O)c1c(F)cc(-c2cscc2-c2cccnc2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 9/20 0.47
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
ERN1 O75460 1/20 0.41
PTGS1 P23219 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDO2 P48775 1/20 0.39
GRM5 P41594 1/20 0.39
ABCB1 P08183 1/20 0.38
RPS6KA3 P51812 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL6735312 0.85 RPS6KA3 (0.55) PTGS2AKR1C3AKR1C2ERN1RPS6KA3
SCHEMBL6722675 0.85 CYP2E1 (0.49) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL6733892 0.83 PTGS2 (0.59) CYP2A6CYP2B6PTGS2PTGS1
SCHEMBL6734342 0.82 PTGS2 (0.41) PTGS2PTGS1TDO2
SCHEMBL6738811 0.80 CYP2A6 (0.54) CYP2A6PTGS2PTGS1TDO2CYP11B2
SCHEMBL6737135 0.80 PTGS2 (0.47) PTGS2PTGS1
SCHEMBL6736635 0.78 PTGS2 (0.46) PTGS2AKR1C3AKR1C2PTGS1RPS6KA3
SCHEMBL6050840 0.78 PTGS2 (0.76) CYP2E1CYP3A4CYP2D6CYP2A6CYP2C9
SCHEMBL6739997 0.77 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6728546 0.77 PTGS2 (0.67) CYP3A4CYP2C9CYP2C19PTGS2PTGS1

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 6 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-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 CYP2E1 54/4885CYP3A4 1338/4885CYP2D6 1142/4885
US-20030149078-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CYP2E1 54/4885CYP3A4 1338/4885CYP2D6 1142/4885
US-20030032657-A1 Fluoro-substituted benzenesulfonyl compounds for the treatment of inflammation FPR1, FPR2, FPR3 CYP2E1 54/4885CYP3A4 1338/4885CYP2D6 1142/4885

“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.