SCHEMBL2134353

SCHEMBL2134353

COC(=O)C(CC(C)C)SCCCCCF

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.37
CNR1 P21554 9/20 0.37
EPHX1 P07099 1/20 0.33
MME P08473 2/20 0.32
FOLH1 Q04609 1/20 0.31
CA14 Q9ULX7 1/20 0.31
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
ZDHHC7 Q9NXF8 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
SCHEMBL2133689 1.00 CNR2 (0.37) CNR2CNR1EPHX1MMEFOLH1
SCHEMBL2138414 1.00 CNR2 (0.37) CNR2CNR1EPHX1MMEFOLH1
SCHEMBL2133464 0.98 CNR2 (0.35) CNR2CNR1EPHX1MMEFOLH1
SCHEMBL2134745 0.93 CNR1 (0.33) CNR2CNR1MMEFOLH1TAS1R3
SCHEMBL2132556 0.87 EPHX1 (0.33) CNR2CNR1EPHX1
SCHEMBL2134176 0.87 EPHX1 (0.33) CNR2CNR1EPHX1
SCHEMBL2138038 0.87 EPHX1 (0.33) CNR2CNR1EPHX1
SCHEMBL2133161 0.86 EPHX1 (0.36) EPHX1
SCHEMBL2131656 0.86 EPHX1 (0.33) EPHX1
SCHEMBL2136178 0.86 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 CNR2 1696/4885CNR1 1222/4885EPHX1 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.