SCHEMBL2136478

SCHEMBL2136478

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
CPB2 Q96IY4 2/20 0.34
METAP2 P50579 4/20 0.34
TDP1 Q9NUW8 4/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
METAP1 P53582 2/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
POLB P06746 3/20 0.30
KDM4E B2RXH2 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 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
SCHEMBL2132536 0.98 EPHX1 (0.44) EPHX1CPB2METAP2TDP1KMT2A
SCHEMBL2137720 0.98 EPHX1 (0.44) EPHX1CPB2METAP2TDP1KMT2A
SCHEMBL2135856 0.90 EPHX1 (0.41) EPHX1CPB2METAP2TDP1KMT2A
SCHEMBL2136684 0.89 EPHX1 (0.44) EPHX1CPB2METAP2TDP1KMT2A
SCHEMBL2137218 0.88 METAP2 (0.39) EPHX1METAP2TDP1METAP1ALDH1A1
SCHEMBL2135437 0.87 EPHX1 (0.39) EPHX1CPB2METAP2TDP1KMT2A
SCHEMBL2136388 0.87 EPHX1 (0.42) EPHX1MAPT
SCHEMBL2135357 0.86 EPHX1 (0.45) EPHX1ALDH1A1MAPT
SCHEMBL2136486 0.86 EPHX1 (0.45) EPHX1ALDH1A1MAPT
SCHEMBL2136826 0.86 EPHX1 (0.45) EPHX1TDP1ALDH1A1LMNAMAPT

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 2018/4885CPB2 2545/4885METAP2 1469/4885

“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.