SCHEMBL2139385

SCHEMBL2139385

CCCCC(SCCCF)C(=O)OCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
TSHR P16473 4/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ALOX5 P09917 1/20 0.32
PPARG P37231 1/20 0.32
RECQL P46063 1/20 0.31
MAPT P10636 2/20 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
SCHEMBL2133398 0.96 EPHX1 (0.36) EPHX1CA1MAPT
SCHEMBL2138790 0.96 EPHX1 (0.36) EPHX1TSHRCYP3A4ATMTDP1
SCHEMBL2134158 0.94 EPHX1 (0.39) EPHX1TSHRCYP3A4ATMTDP1
SCHEMBL2137752 0.94 EPHX1 (0.39) EPHX1TSHRCYP3A4ATMTDP1
SCHEMBL2139156 0.94 EPHX1 (0.39) EPHX1TSHRCYP3A4ATMTDP1
SCHEMBL2135907 0.93 EPHX1 (0.32) EPHX1TSHR
SCHEMBL2132633 0.92 EPHX1 (0.39) EPHX1CA1MAPT
SCHEMBL2138530 0.90 EPHX1 (0.41) EPHX1MAPT
SCHEMBL2138804 0.90 EPHX1 (0.41) EPHX1MAPT
SCHEMBL2132840 0.90 EPHX1 (0.41) EPHX1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471252-B Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2014-07-02 CN disclosed
CN-103709079-A Process for preparation of (fluoroalkylthio)acetic acid esters MASAJI HIROTA HIROYUKI MIYAZAKI TADAYOSHI ITOH 2014-04-09 CN disclosed
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
CN-102471252-A Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2012-05-23 CN 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 2018/4885TSHR 254/4885CYP3A4 257/4885

“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.