SCHEMBL2137018

SCHEMBL2137018

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
CA2 P00918 2/20 0.35
CA1 P00915 1/20 0.35
ATM Q13315 2/20 0.34
ALOX5 P09917 4/20 0.33
PPARG P37231 4/20 0.33
PPARA Q07869 3/20 0.33
TSHR P16473 4/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGES O14684 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
ESR1 P03372 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
MAPK1 P28482 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 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
SCHEMBL2134639 0.96 MAPT (0.38) ALDH1A1CA2CA1ATMTSHR
SCHEMBL2135858 0.96 ALDH1A1 (0.35) ALDH1A1CA2CA1ATMALOX5
SCHEMBL2133050 0.94 CA2 (0.35) CA2CA1ATMALOX5PPARG
SCHEMBL2133478 0.94 ALDH1A1 (0.36) ALDH1A1CA2CA1ATMTSHR
SCHEMBL2137908 0.93 MAPT (0.38) ALDH1A1CA2CA1ATMTSHR
SCHEMBL2138604 0.91 ALDH1A1 (0.36) ALDH1A1CA2CA1ATMALOX5
SCHEMBL2136706 0.90 MAPT (0.35) CA2CA1ATMALOX5PPARG
SCHEMBL2136750 0.90 ALDH1A1 (0.35) ALDH1A1CA2CA1ATMTSHR
SCHEMBL2134177 0.90 MAPT (0.38) CA2CA1MAPTHDAC3HDAC4
SCHEMBL2138506 0.90 CA2 (0.36) ALDH1A1CA2CA1ATMALOX5

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 41/4885CA2 737/4885CA1 617/4885

“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.