SCHEMBL2136359

SCHEMBL2136359

COC(=O)C(C)SCCCC(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 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
SCHEMBL2133177 0.95 EPHX1 (0.37) EPHX1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2134062 0.94 EPHX1 (0.39) EPHX1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2141038 0.92 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2ACA1
SCHEMBL2139816 0.90 EPHX1 (0.33) EPHX1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL2138416 0.89 EPHX1 (0.32) EPHX1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL2139889 0.88 EPHX1 (0.35) EPHX1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL2135679 0.87 EPHX1 (0.33) EPHX1
SCHEMBL2137657 0.87 EPHX1 (0.36) EPHX1ALDH1A1
SCHEMBL2134145 0.87 CA1 (0.36) EPHX1ALDH1A1SMN1; SMN2CA1CA2
SCHEMBL2136002 0.86 EPHX1 (0.35) EPHX1ALDH1A1SMN1; SMN2CA1CA2

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 41/4885SMN1; SMN2 4843/4885

“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.