SCHEMBL2139880

SCHEMBL2139880

CCCCCC(SCCCC(F)CC)C(=O)OCC(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
MAPT P10636 2/20 0.33
ZDHHC7 Q9NXF8 1/20 0.31
CA1 P00915 2/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
FAAH O00519 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
ATM Q13315 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2132120 0.97 EPHX1 (0.37) EPHX1MAPTZDHHC7CA1PRSS1
SCHEMBL2137009 0.96 TSHR (0.33) EPHX1CA1CYP3A4TSHRATM
SCHEMBL2133074 0.95 EPHX1 (0.34) EPHX1MAPTCA1CYP3A4TSHR
SCHEMBL2132928 0.92 EPHX1 (0.34) EPHX1MAPTZDHHC7CA1FAAH
SCHEMBL2135507 0.92 MAPT (0.30) MAPT
SCHEMBL2137192 0.91 EPHX1 (0.32) EPHX1
SCHEMBL2136848 0.89 EPHX1 (0.36) EPHX1MAPTZDHHC7CA1FAAH
SCHEMBL2137769 0.88 ALOX5 (0.32) EPHX1CA1CYP3A4TSHRATM
SCHEMBL2134910 0.88 MAPT (0.36) EPHX1MAPTZDHHC7CA1
SCHEMBL2135640 0.88 TSHR (0.30) TSHR

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 2018/4885MAPT 4195/4885ZDHHC7 475/4885

“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.