SCHEMBL6721886

SCHEMBL6721886

Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(S(C)(=O)=O)c(F)c2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 14/20 0.73
▸ CYP2C9 P11712 3/20 0.73
▸ PTGS1 P23219 5/20 0.65
▸ PDPK1 O15530 3/20 0.65
▸ HDAC3 O15379 2/20 0.65
▸ HDAC4 P56524 2/20 0.65
▸ HDAC1 Q13547 2/20 0.65
▸ HDAC7 Q8WUI4 2/20 0.65
▸ HDAC2 Q92769 2/20 0.65
▸ HDAC10 Q969S8 2/20 0.65
▸ HDAC11 Q96DB2 2/20 0.65
▸ HDAC8 Q9BY41 2/20 0.65
▸ HDAC6 Q9UBN7 2/20 0.65
▸ HDAC9 Q9UKV0 2/20 0.65
▸ HDAC5 Q9UQL6 2/20 0.65
▸ PTGES O14684 1/20 0.65
▸ CA12 O43570 1/20 0.65
▸ PDE5A O76074 1/20 0.65
▸ ABCB11 O95342 1/20 0.65
▸ MT-CO2 P00403 1/20 0.65

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
SCHEMBL6722834 0.93 PTGS2 (0.73) PTGS2CYP2C9PTGS1PDPK1HDAC3
SCHEMBL6718487 0.92 PTGS2 (0.74) PTGS2CYP2C9PTGS1
SCHEMBL6724028 0.91 PTGS2 (0.63) PTGS2CYP2C9PTGS1PDPK1
SCHEMBL6723842 0.91 PTGS2 (0.66) PTGS2CYP2C9PTGS1
SCHEMBL6725716 0.91 PTGS2 (0.60) PTGS2CYP2C9PTGS1PDPK1HDAC3
SCHEMBL6723503 0.90 PTGS2 (0.65) PTGS2CYP2C9PTGS1PDPK1CYP3A4
SCHEMBL6721625 0.90 PTGS2 (0.73) PTGS2CYP2C9PTGS1PDPK1HDAC3
SCHEMBL6718777 0.90 PTGS2 (0.65) PTGS2CYP2C9PTGS1PDPK1
SCHEMBL6718631 0.89 PTGS2 (0.59) PTGS2CYP2C9PTGS1PDPK1HDAC3
SCHEMBL6719255 0.89 PTGS2 (0.59) PTGS2CYP2C9PTGS1PDPK1HDAC3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2004-05-13 — — US disclosed
EP-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 — — EP disclosed
US-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2002-12-05 — — US disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 — — WO 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 (2 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-20020183362-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, FPR1, PTGES2 PTGS2 5/4885CYP2C9 1857/4885PTGS1 4/4885
US-20040092552-A1 2-Fluorobenzenesulfonyl compounds for the treatment of inflammation FPR2, PTGES2, FPR1 PTGS2 5/4885CYP2C9 1723/4885PTGS1 4/4885

“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.

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