SCHEMBL2138488

SCHEMBL2138488

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.32
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
BIRC2 Q13490 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
SCHEMBL2135365 0.96 ALDH1A1 (0.34) EPHX1ALDH1A1MAPTATMHPGD
SCHEMBL2135623 0.93 EPHX1 (0.32) EPHX1MAPT
SCHEMBL2135045 0.89 HDAC3 (0.30)
SCHEMBL2137176 0.89 EPHX1 (0.36) EPHX1ALDH1A1MAPTATMHPGD
SCHEMBL2135858 0.89 ALDH1A1 (0.35) EPHX1ALDH1A1MAPTATMHPGD
SCHEMBL2137908 0.89 MAPT (0.38) EPHX1ALDH1A1MAPTATMHPGD
SCHEMBL2136750 0.89 ALDH1A1 (0.35) EPHX1ALDH1A1MAPTATMHPGD
SCHEMBL2134692 0.89 EPHX1 (0.36) EPHX1ALDH1A1MAPTATMHPGD
SCHEMBL2136597 0.88 EPHX1 (0.38) EPHX1ALDH1A1MAPTATMHPGD
SCHEMBL2134530 0.88 ALDH1A1 (0.34) EPHX1ALDH1A1MAPTATMHPGD

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 EPHX1 2018/4885ALDH1A1 41/4885MAPT 4195/4885

“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.