SCHEMBL2138604

SCHEMBL2138604

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
PPARG P37231 5/20 0.33
ALOX5 P09917 4/20 0.33
PPARA Q07869 4/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PTGES O14684 2/20 0.32

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
SCHEMBL2134397 0.96 MAPT (0.38) ALDH1A1ATMHDAC3HDAC4HDAC1
SCHEMBL2135185 0.96 ALDH1A1 (0.37) ALDH1A1ATMHDAC3HDAC4HDAC1
SCHEMBL2137929 0.94 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2137018 0.91 ALDH1A1 (0.36) ALDH1A1ATMHDAC3HDAC4HDAC1
SCHEMBL2134300 0.90 MAPT (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2137775 0.90 CA1 (0.33) ALDH1A1PPARGALOX5PPARATSHR
SCHEMBL2134530 0.89 ALDH1A1 (0.34) ALDH1A1ATMHDAC3HDAC4HDAC1
SCHEMBL2133478 0.89 ALDH1A1 (0.36) ALDH1A1ATMHDAC3HDAC4HDAC1
SCHEMBL2133358 0.88 HDAC3 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2135858 0.87 ALDH1A1 (0.35) ALDH1A1ATMPPARGALOX5PPARA

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 41/4885ATM 1990/4885HDAC3 1984/4885

“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.