SCHEMBL2137630

SCHEMBL2137630

CC(C)COC(=O)C(SCCC(F)(F)F)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
NR1H3 Q13133 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX1 P07099 1/20 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
SCHEMBL2136183 0.91 TSHR (0.32) TSHR
SCHEMBL2134087 0.89 TSHR (0.31) TSHR
SCHEMBL2138072 0.88 CYSLTR2 (0.31) TSHREPHX1
SCHEMBL2134978 0.88 CYSLTR2 (0.31) TSHREPHX1
SCHEMBL2138539 0.88 GAA (0.32) TSHRGAAMAPK1NR1H3SMN1; SMN2
SCHEMBL2136914 0.85 ALDH1A1 (0.33) ALDH1A1EPHX1
SCHEMBL2135356 0.83 TSHR (0.39) TSHRALDH1A1GAAMAPK1NR1H3
SCHEMBL2132979 0.83 SMN1; SMN2 (0.34) SMN1; SMN2EPHX1
SCHEMBL2134695 0.83 TSHR (0.31) TSHR
SCHEMBL2137721 0.83 EPHX1 (0.30) EPHX1

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 254/4885ALDH1A1 41/4885GAA 807/4885

“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.