SCHEMBL2138664

SCHEMBL2138664

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
MAPT P10636 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALOX5 P09917 2/20 0.33
CPB2 Q96IY4 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
NOD1 Q9Y239 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP3A4 P08684 2/20 0.31
ALOX15 P16050 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
TSHR P16473 1/20 0.31
PTGES O14684 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.31
ADORA1 P30542 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
SCHEMBL2135469 0.98 EPHX1 (0.37) EPHX1MAPTCA1CA2ALOX5
SCHEMBL2131008 0.98 EPHX1 (0.37) EPHX1MAPTCA1CA2ALOX5
SCHEMBL2135709 0.97 EPHX1 (0.38) EPHX1MAPTCPB2ZDHHC7NOD1
SCHEMBL2134750 0.95 EPHX1 (0.41) EPHX1MAPTZDHHC7NOD1
SCHEMBL2138477 0.95 EPHX1 (0.41) EPHX1MAPTZDHHC7NOD1
SCHEMBL2134889 0.92 CPB2 (0.33) EPHX1MAPTCPB2NOD1ALDH1A1
SCHEMBL2137396 0.91 EPHX1 (0.35) EPHX1MAPTCPB2ZDHHC7NOD1
SCHEMBL2137051 0.91 EPHX1 (0.35) EPHX1MAPTCPB2ZDHHC7NOD1
SCHEMBL2137465 0.91 CA2 (0.35) EPHX1MAPTCA1CA2ALOX5
SCHEMBL2137548 0.90 EPHX1 (0.37) EPHX1MAPTCA1CA2ALOX5

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 4195/4885CA1 617/4885

“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.