SCHEMBL2136331

SCHEMBL2136331

CCC(F)CCCSC(C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.34
MAPK1 P28482 1/20 0.34
FOLH1 Q04609 2/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL2133421 0.95 MAPT (0.35) CA2MAPK1MAPT
SCHEMBL2135550 0.89 MAPT (0.35) CA2MAPK1FOLH1MAPT
SCHEMBL2136094 0.83 FOLH1 (0.34) FOLH1MAPT
SCHEMBL2140596 0.80 MAPT (0.34) FOLH1MAPT
SCHEMBL2135347 0.79 MAPT (0.33) FOLH1MAPT
SCHEMBL2135738 0.79 MAPT (0.33) CA2MAPK1FOLH1MAPT
SCHEMBL2137119 0.79 MAPT (0.37) FOLH1MAPT
SCHEMBL2134721 0.79 MAPT (0.37) FOLH1MAPT
SCHEMBL2136245 0.78 EPHX1 (0.40) CA2MAPK1FOLH1MAPT
SCHEMBL2137812 0.78 MAPT (0.35) CA2MAPK1FOLH1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CA2 737/4885MAPK1 1590/4885FOLH1 1822/4885

“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.