SCHEMBL2137652

SCHEMBL2137652

CCOC(=O)C(SCCCCC(C)(F)F)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.33
CYP4A11 Q02928 2/20 0.33
EPHX1 P07099 1/20 0.31
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 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
SCHEMBL2136005 0.99 CYP4F2 (0.36) CYP4F2CYP4A11EPHX1ALDH1A1KMT2A
SCHEMBL2134217 0.95 CYP4F2 (0.31) CYP4F2CYP4A11ALDH1A1KMT2A
SCHEMBL2134784 0.90 EPHX1 (0.32) CYP4F2CYP4A11EPHX1ALDH1A1KMT2A
SCHEMBL2134055 0.89 EPHX1 (0.33) EPHX1
SCHEMBL2136500 0.88 EPHX1 (0.34) CYP4F2CYP4A11EPHX1ALDH1A1KMT2A
SCHEMBL2134936 0.88 EPHX1 (0.34) CYP4F2CYP4A11EPHX1ALDH1A1KMT2A
SCHEMBL2134434 0.87 EPHX1 (0.35) EPHX1
SCHEMBL2132825 0.87 EPHX1 (0.35) EPHX1ALDH1A1
SCHEMBL2133273 0.87 CYP4F2 (0.33) CYP4F2CYP4A11EPHX1ALDH1A1KMT2A
SCHEMBL2133793 0.87 TSHR (0.30)

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 CYP4F2 132/4885CYP4A11 858/4885EPHX1 2018/4885

“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.