SCHEMBL2133443

SCHEMBL2133443

CCCCC(SCCCCC(C)F)C(=O)OCC(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
MAPT P10636 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX5 P09917 1/20 0.30
PPARG P37231 1/20 0.30

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
SCHEMBL2138286 0.99 EPHX1 (0.38) EPHX1MAPTTSHRCYP3A4ATM
SCHEMBL2138392 0.97 EPHX1 (0.39) EPHX1MAPTCA1
SCHEMBL2136668 0.96 EPHX1 (0.41) EPHX1MAPT
SCHEMBL2134166 0.96 EPHX1 (0.33) EPHX1TSHRCYP3A4ATMTDP1
SCHEMBL2136848 0.94 EPHX1 (0.36) EPHX1MAPTCA1
SCHEMBL2138383 0.94 EPHX1 (0.34) EPHX1MAPTTSHR
SCHEMBL2138402 0.93 EPHX1 (0.36) EPHX1MAPTTSHR
SCHEMBL2138891 0.92 EPHX1 (0.36) EPHX1MAPTTSHRCYP3A4ATM
SCHEMBL2133309 0.90 EPHX1 (0.38) EPHX1MAPTTSHRCYP3A4ATM
SCHEMBL2136181 0.90 EPHX1 (0.38) EPHX1MAPTTSHRCYP3A4ATM

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 EPHX1 2018/4885MAPT 4195/4885TSHR 254/4885

“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.