SCHEMBL2136646

SCHEMBL2136646

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

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
EPHX1 P07099 1/20 0.32
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

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
SCHEMBL2134522 0.91 TSHR (0.32) TSHREPHX1
SCHEMBL2138772 0.89 TSHR (0.31) TSHR
SCHEMBL2135375 0.88 CYSLTR2 (0.31) TSHREPHX1
SCHEMBL2136142 0.88 CYSLTR2 (0.31) TSHREPHX1
SCHEMBL2139077 0.88 GAA (0.32) TSHREPHX1GAAMAPK1NR1H3
SCHEMBL2137659 0.87 ALDH1A1 (0.33) TSHREPHX1ALDH1A1
SCHEMBL2136938 0.86 TSHR (0.34) TSHR
SCHEMBL2136414 0.85 EPHX1 (0.32) EPHX1
SCHEMBL2133594 0.85 NOS3 (0.36) EPHX1
SCHEMBL2134291 0.84 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 254/4885EPHX1 2018/4885ALDH1A1 41/4885

“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.