SCHEMBL2132606

SCHEMBL2132606

CCCCOC(=O)C(SCCCF)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.37
EPHX1 P07099 2/20 0.36
TSHR P16473 3/20 0.35
HPGD P15428 2/20 0.35
ESR1 P03372 2/20 0.33
HCAR2 Q8TDS4 1/20 0.33
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NAAA Q02083 1/20 0.33
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPK1 P28482 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
SCHEMBL2136623 0.95 EPHX1 (0.38) ALDH1A1ATMEPHX1TSHRHPGD
SCHEMBL2137263 0.94 EPHX1 (0.41) ALDH1A1ATMEPHX1TSHRHPGD
SCHEMBL2137314 0.94 EPHX1 (0.41) ALDH1A1ATMEPHX1TSHRHPGD
SCHEMBL2135544 0.94 EPHX1 (0.41) ALDH1A1ATMEPHX1TSHRHPGD
SCHEMBL2137647 0.92 EPHX1 (0.33) EPHX1
SCHEMBL2137041 0.88 EPHX1 (0.36) EPHX1
SCHEMBL2134587 0.86 EPHX1 (0.38) EPHX1
SCHEMBL2131710 0.86 EPHX1 (0.38) EPHX1
SCHEMBL2133927 0.86 EPHX1 (0.38) EPHX1
SCHEMBL2133737 0.85 ALDH1A1 (0.33) ALDH1A1EPHX1HPGDTDP1HSD17B10

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 ALDH1A1 41/4885ATM 1990/4885EPHX1 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.