SCHEMBL11959614

SCHEMBL11959614

CCCCSCC[Si](C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
USP2 O75604 1/20 0.33
MAPT P10636 3/20 0.32
CYP2C9 P11712 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CES2 O00748 1/20 0.32
GMNN O75496 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
LMNA P02545 3/20 0.32
CA2 P00918 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
GBA1 P04062 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL21882 0.80
SCHEMBL10346858 0.77 CYP1A2 (0.31) CYP1A2CYP2C19
SCHEMBL9861223 0.77 USP2 (0.33) CES1USP2
SCHEMBL6689804 0.76 TSHR (0.43) CES1MAPTCYP2C9HSD17B10CES2
SCHEMBL747847 0.76 TSHR (0.43) CES1MAPTCYP2C9HSD17B10CES2
Iodide SCHEMBL7869089 0.76 TSHR (0.43) CES1MAPTCYP2C9HSD17B10CES2
SCHEMBL11527395 0.76 TSHR (0.43) CES1MAPTCYP2C9HSD17B10CES2
SCHEMBL10591515 0.76 TSHR (0.43) CES1MAPTCYP2C9HSD17B10CES2
SCHEMBL4849581 0.76 TSHR (0.43) CES1MAPTCYP2C9HSD17B10CES2
SCHEMBL11531992 0.76 TSHR (0.43) CES1MAPTCYP2C9HSD17B10CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236945-B2 Process for preparing disulfides and thiosulphinates and compounds prepared Universite Joseph Fourier (Grenoble1) (FR) 2012-08-07 US disclosed
US-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED UNIVERSITE JOSEPH FOURIER (GRENOBLE 1) (FR) 2009-10-22 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-20090264637-A1 PROCESS FOR PREPARING DISULPHIDES AND THIOSULPHINATES AND COMPOUNDS PREPARED TST, STS, MSR1 CES1 2350/4885USP2 1566/4885MAPT 4817/4885

“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.