SCHEMBL2136767

SCHEMBL2136767

CC(C)OC(=O)C(S)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HCAR2 Q8TDS4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
CA12 O43570 5/20 0.31
CA1 P00915 5/20 0.31
CA2 P00918 5/20 0.31
CA9 Q16790 5/20 0.31
CA7 P43166 3/20 0.31
CA14 Q9ULX7 3/20 0.31
LMNA P02545 3/20 0.31
TDP1 Q9NUW8 3/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
ABCB11 O95342 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
SCHEMBL8720824 0.89 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL10329468 0.89 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL7642483 0.80 HPGD (0.52) TSHRHCAR2LMNATDP1HPGD
SCHEMBL10280094 0.78
SCHEMBL8372288 0.78 SMN1; SMN2 (0.35) SMN1; SMN2CA12CA14LMNATDP1
SCHEMBL2134686 0.78
SCHEMBL2138019 0.76
SCHEMBL1966385 0.74 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL10991696 0.74 TSHR (0.43) TSHRHCAR2SMN1; SMN2CA12CA1
SCHEMBL11983811 0.73 ALDH1A1 (0.34) TSHRCA2TDP1ALDH1A1

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 TSHR 254/4885HCAR2 301/4885SMN1; SMN2 4843/4885

“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.