SCHEMBL3796271

SCHEMBL3796271

CCCOc1ccc(C(C(=O)OCC)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA7 P43166 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
MAPK1 P28482 2/20 0.43
ACACB O00763 1/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PLK1 P53350 1/20 0.42
PTGS2 P35354 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MITF O75030 1/20 0.40

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 0.92 GAA (0.43) CA12CA1CA2CA9CA7
SCHEMBL3791834 0.87 CA12 (0.53) CA12CA1CA2CA9PTGS2
SCHEMBL13228105 0.87 KMT2A (0.53) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL3809038 0.85 GAA (0.47) CA12CA1CA2CA9KMT2A
SCHEMBL3796352 0.85 PTGS2 (0.47) CA12CA1CA2CA9KMT2A
SCHEMBL3792227 0.85 PTGS2 (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL3795965 0.83 NHERF1 (0.46) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3796213 0.83 CA12 (0.48) CA12CA1CA2CA9SMN1; SMN2
SCHEMBL3798133 0.83 EPHX2 (0.50) PTGS2
SCHEMBL3798068 0.83 CA12 (0.53) CA12CA1CA2CA9KMT2A

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 CA12 2840/4885CA1 1852/4885CA2 1649/4885

“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.