SCHEMBL2136569

SCHEMBL2136569

CCC(SCCCCC(F)(F)F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HTT P42858 1/20 0.33
EPHX1 P07099 1/20 0.32
POLB P06746 1/20 0.31
FAAH O00519 4/20 0.31
CES1 P23141 4/20 0.31
CES2 O00748 3/20 0.31
PLA2G6 O60733 1/20 0.31
ALOX5 P09917 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
SCHEMBL2136294 0.98 CYSLTR2 (0.36) CYSLTR2CYSLTR1HTTEPHX1POLB
SCHEMBL2135845 0.98 CYSLTR2 (0.36) CYSLTR2CYSLTR1HTTEPHX1POLB
SCHEMBL2136585 0.95 HTT (0.33) CYSLTR2CYSLTR1HTTPOLBCES1
SCHEMBL2136075 0.88 HTT (0.32) HTTEPHX1POLBFAAHCES1
SCHEMBL2135681 0.87 HTT (0.35) HTTPOLB
SCHEMBL2135466 0.87 EPHX1 (0.33) HTTEPHX1FAAHCES1CES2
SCHEMBL2134887 0.87 HTT (0.31) HTTEPHX1
SCHEMBL2139956 0.87 HTT (0.31) HTTEPHX1
SCHEMBL2134714 0.87 CHRM1 (0.34) CYSLTR2CYSLTR1EPHX1FAAHCES1
SCHEMBL2134577 0.85 HSD17B10 (0.42) EPHX1FAAHCES1CES2PLA2G6

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 CYSLTR2 632/4885CYSLTR1 384/4885HTT 1998/4885

“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.