SCHEMBL2139111

SCHEMBL2139111

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ATM Q13315 1/20 0.33
ALOX5 P09917 6/20 0.32
PPARG P37231 6/20 0.32
PPARA Q07869 5/20 0.32
PTGES O14684 4/20 0.32
EPHX1 P07099 1/20 0.32
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
ESR1 P03372 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
SCHEMBL2136648 0.96 ALDH1A1 (0.33) ALDH1A1CA1CA2ATMALOX5
SCHEMBL2133295 0.96 MAPT (0.33) ALDH1A1ATMEPHX1HPGDTSHR
SCHEMBL2134603 0.95 ALDH1A1 (0.34) ALDH1A1CA1CA2ATMHPGD
SCHEMBL2135763 0.95 CA1 (0.33) CA1CA2ALOX5PPARGPPARA
SCHEMBL2132628 0.92 EPHX1 (0.33) ALDH1A1ATMEPHX1
SCHEMBL2134184 0.92 ALDH1A1 (0.34) ALDH1A1CA1CA2ATMALOX5
SCHEMBL2135115 0.91 MAPT (0.33) EPHX1
SCHEMBL2135596 0.91 CA1 (0.33) CA1CA2EPHX1
SCHEMBL2136169 0.91 ALDH1A1 (0.33) ALDH1A1ATMEPHX1HPGDTSHR
SCHEMBL2135007 0.90 CA1 (0.34) CA1CA2ALOX5EPHX1

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 41/4885CA1 617/4885CA2 737/4885

“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.