SCHEMBL2136193

SCHEMBL2136193

CCCCCC(SCCCCCCC(F)F)C(=O)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
EPHX1 P07099 2/20 0.40
NAAA Q02083 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ACHE P22303 2/20 0.35
SMPD1 P17405 3/20 0.34
TSHR P16473 2/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL2136460 1.00 MAPT (0.42) MAPTEPHX1NAAAZDHHC7ALDH1A1
SCHEMBL2137576 0.99 MAPT (0.40) MAPTEPHX1NAAAZDHHC7ALDH1A1
SCHEMBL2136965 0.97 MAPT (0.39) MAPTEPHX1NAAAZDHHC7ALDH1A1
SCHEMBL2135803 0.97 MAPT (0.39) MAPTEPHX1NAAAZDHHC7ALDH1A1
SCHEMBL2134835 0.96 ALDH1A1 (0.37) MAPTEPHX1ZDHHC7ALDH1A1TSHR
SCHEMBL2133753 0.94 MAPT (0.39) MAPTEPHX1NAAAZDHHC7ALDH1A1
SCHEMBL2138829 0.94 MAPT (0.39) MAPTEPHX1NAAAZDHHC7ALDH1A1
SCHEMBL2137831 0.94 MAPT (0.42) MAPTEPHX1NAAAZDHHC7ACHE
SCHEMBL2135266 0.94 MAPT (0.42) MAPTEPHX1NAAAZDHHC7ACHE
SCHEMBL2139542 0.93 ALDH1A1 (0.37) MAPTEPHX1NAAAZDHHC7ALDH1A1

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 MAPT 4195/4885EPHX1 2018/4885NAAA 450/4885

“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.