SCHEMBL2139822

SCHEMBL2139822

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

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.32
CPB2 Q96IY4 1/20 0.32
EPHX1 P07099 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
CYP3A4 P08684 3/20 0.31
ALDH1A1 P00352 2/20 0.31
ALOX15 P16050 2/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
CHRM1 P11229 1/20 0.31
ADORA1 P30542 1/20 0.31
HSD17B10 Q99714 1/20 0.31
METAP1 P53582 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2135594 0.98 EPHX1 (0.34) METAP2CPB2EPHX1TDP1CYP3A4
SCHEMBL2131721 0.98 EPHX1 (0.34) METAP2CPB2EPHX1TDP1CYP3A4
SCHEMBL2136071 0.91 METAP2 (0.32) METAP2CPB2EPHX1TDP1CYP3A4
SCHEMBL2137566 0.90 EPHX1 (0.34) METAP2CPB2EPHX1TDP1CYP3A4
SCHEMBL2133410 0.89 METAP2 (0.37) METAP2TDP1CYP3A4ALDH1A1ALOX15
SCHEMBL2132105 0.88 TDP1 (0.32) METAP2CPB2EPHX1TDP1CYP3A4
SCHEMBL2138764 0.88 EPHX1 (0.33) EPHX1
SCHEMBL2137335 0.88 TSHR (0.32) TSHR
SCHEMBL2136653 0.87 EPHX1 (0.36) EPHX1
SCHEMBL2134443 0.87 EPHX1 (0.36) EPHX1

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 METAP2 1469/4885CPB2 2545/4885EPHX1 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.