SCHEMBL3796352

SCHEMBL3796352

CCOC(=O)C(C(=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(OC(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.47
RORC P51449 2/20 0.42
KMT2A Q03164 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
PARP10 Q53GL7 1/20 0.40
MAPT P10636 1/20 0.40
GCK P35557 3/20 0.39
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
MMP3 P08254 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
SCHEMBL3798330 0.88 GAA (0.43) KMT2ACA12CA1CA2CA9
SCHEMBL3791834 0.88 CA12 (0.53) PTGS2CA12CA1CA2CA9
SCHEMBL13228112 0.86 MAPT (0.53) KMT2ANPSR1PARP10MAPTPPARG
SCHEMBL3809038 0.86 GAA (0.47) PTGS2KMT2ACA12CA1CA2
SCHEMBL3792227 0.86 PTGS2 (0.52) PTGS2KMT2ACA12CA1CA2
SCHEMBL3796271 0.85 CA12 (0.44) PTGS2KMT2ACA12CA1CA2
SCHEMBL3795965 0.84 NHERF1 (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL3798133 0.84 EPHX2 (0.50) PTGS2
SCHEMBL3796213 0.84 CA12 (0.48) PTGS2KMT2ACA12CA1CA2
SCHEMBL3798068 0.84 CA12 (0.53) PTGS2KMT2ACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781592-B2 Thione derivative, method for the preparation thereof, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2010-08-24 US disclosed
US-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same CJC CORPORATION (KR) 2008-04-17 US disclosed
WO-2005051941-A1 THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2005-06-09 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 (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-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same TPMT, TST, CYP3A5 PTGS2 922/4885RORC 829/4885KMT2A 3602/4885

“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.