SCHEMBL2140940

SCHEMBL2140940

CCC(S)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
CA1 P00915 3/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
DGAT1 O75907 1/20 0.32
NOS1 P29475 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
SYK P43405 1/20 0.31
CA12 O43570 2/20 0.31
CA14 Q9ULX7 2/20 0.31

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
Methane SCHEMBL28301990 0.98 CTSS (0.33) CTSSCTSKKMT2ALMNACA1
SCHEMBL2132571 0.83 CTSK (0.37) CTSSCTSKKMT2ALMNACA1
SCHEMBL28374584 0.82 PRKCA (0.34) KMT2ALMNACA1CA2CA7
SCHEMBL2671798 0.80
SCHEMBL27871538 0.80 NOS1 (0.34) KMT2ALMNACA1CA2CA7
SCHEMBL2134189 0.79 CA2 (0.44) CTSSCTSKCA1CA2
SCHEMBL2132726 0.78 RNPEP (0.50) CTSSCTSKKMT2ACA1CA2
SCHEMBL2137806 0.78 ZDHHC7 (0.41) CTSSCTSKCA1CA2
SCHEMBL1803154 0.76 CA2 (0.43) CTSSCTSKKMT2ALMNACA1
SCHEMBL1344807 0.76 CTSK (0.36) CTSSCTSKKMT2ALMNACA1

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
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed
US-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-26 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-20120101294-A1 PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER GRHPR, AKR7A2, FAR1 CTSS 1733/4885CTSK 2835/4885KMT2A 4261/4885

“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.