SCHEMBL2133549

SCHEMBL2133549

CC(F)CCCCCSC(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
MAPT P10636 1/20 0.40
ACE2 Q9BYF1 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR84 Q9NQS5 3/20 0.33
FFAR1 O14842 1/20 0.33
LCK P06239 1/20 0.32
PPARD Q03181 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
BHMT Q93088 1/20 0.31
CPB2 Q96IY4 1/20 0.30
LTA4H P09960 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
SCHEMBL2137810 0.98 EPHX1 (0.42) EPHX1MAPTACE2ALDH1A1HSD17B10
SCHEMBL2135022 0.92 EPHX1 (0.39) EPHX1MAPTALDH1A1HSD17B10BHMT
SCHEMBL2138208 0.89 EPHX1 (0.44) EPHX1MAPTACE2ALDH1A1HSD17B10
SCHEMBL2134884 0.89 EPHX1 (0.44) EPHX1MAPTACE2ALDH1A1HSD17B10
SCHEMBL2133661 0.87 EPHX1 (0.42) EPHX1MAPTACE2ALDH1A1HSD17B10
SCHEMBL867490 0.85 EPHX1 (0.47) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL9777670 0.85 EPHX1 (0.47) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2133906 0.82 EPHX1 (0.42) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2138765 0.82 MAPT (0.38) EPHX1MAPTACE2GPR84FFAR1
SCHEMBL2137924 0.81 EPHX1 (0.47) EPHX1MAPTALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2018/4885MAPT 4195/4885ACE2 1635/4885

“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.