SCHEMBL2137659

SCHEMBL2137659

CCOC(=O)C(CC(C)C)SCCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 2/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRM1 P11229 1/20 0.32
ADORA1 P30542 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPHX1 P07099 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
MMP8 P22894 1/20 0.31
METAP2 P50579 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
SCHEMBL2135126 0.91 ALDH1A1 (0.31) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2138182 0.89 EPHX1 (0.31) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2135597 0.88 EPHX1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2135278 0.88 EPHX1 (0.33) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2134291 0.88 EPHX1 (0.30) EPHX1
SCHEMBL2138851 0.88 ALDH1A1 (0.31) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2136646 0.87 TSHR (0.37) ALDH1A1TSHREPHX1
SCHEMBL2133594 0.85 NOS3 (0.36) EPHX1
SCHEMBL2136414 0.85 EPHX1 (0.32) EPHX1
SCHEMBL2134436 0.85 ALDH1A1 (0.36) ALDH1A1TSHRTDP1EPHX1NPSR1

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 41/4885CYP3A4 257/4885ALOX15 746/4885

“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.