SCHEMBL2133085

SCHEMBL2133085

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

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ATM Q13315 1/20 0.32
EPHX1 P07099 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
POLB P06746 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
SCHEMBL2137587 0.96 EPHX1 (0.33) ALDH1A1ATMEPHX1MEN1KMT2A
SCHEMBL2135960 0.95 EPHX1 (0.35) ALDH1A1ATMEPHX1
SCHEMBL2136923 0.93
SCHEMBL2137550 0.93 ALDH1A1 (0.34) ALDH1A1ATMHPGDTSHRPOLB
SCHEMBL2136292 0.92 ALDH1A1 (0.32) ALDH1A1ATMEPHX1
SCHEMBL2133417 0.91 ALDH1A1 (0.31) ALDH1A1KMT2A
SCHEMBL2134585 0.90 EPHX1 (0.31) EPHX1
SCHEMBL2133586 0.89 ALDH1A1 (0.35) ALDH1A1ATMEPHX1HPGDTSHR
SCHEMBL2134269 0.89 EPHX1 (0.32) ALDH1A1EPHX1
SCHEMBL2135139 0.88 EPHX1 (0.33) 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 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.