SCHEMBL4585985

SCHEMBL4585985

CC(=O)C(C(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.52
PTGS2 P35354 3/20 0.49
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
AKR1C3 P42330 1/20 0.48
FAAH O00519 1/20 0.46
MGLL Q99685 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP2J2 P51589 1/20 0.45

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
SCHEMBL6623432 0.85 EPHX2 (0.52) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7985890 0.83 AKR1C3 (0.50) PTGS2AKR1C3
SCHEMBL3798133 0.82 EPHX2 (0.50) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7505910 0.82 EPHX2 (0.54) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL6184286 0.82 EPHX2 (0.54) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7507298 0.82 EPHX2 (0.54) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL8562014 0.81 EPHX2 (0.53) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL7084244 0.81 EPHX2 (0.53) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL5781468 0.76 EPHX2 (0.55) EPHX2PTGS2AKR1C2AKR1C1AKR1C3
SCHEMBL6050635 0.76 CES2 (0.64) EPHX2PTGS2AKR1C2AKR1C1AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556364-A4 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP (KR) 2008-04-16 EP disclosed
US-6967213-B2 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2005-11-22 US disclosed
EP-1556364-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ Corp. (KR) 2005-07-27 EP disclosed
WO-2004035553-A1 ISOTHIAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING THE SAME CJ CORP. (KR) 2004-04-29 WO disclosed
US-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CJ CORP. (KR) 2004-04-15 US 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 (1 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-20040072884-A1 Isothiazole derivatives, process for the preparation thereof, and pharmaceutical composition including the same CYP3A5, CYP2C9, CYP2C19 EPHX2 2398/4885PTGS2 152/4885AKR1C2 1275/4885

“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.