SCHEMBL2137483

SCHEMBL2137483

CCCCOC(=O)C(CCCC)SCCC(F)(F)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ATM Q13315 1/20 0.33
ALOX5 P09917 6/20 0.33
PPARG P37231 6/20 0.33
PPARA Q07869 5/20 0.33
PTGES O14684 4/20 0.33
EPHX1 P07099 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.31
CES1 P23141 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 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
SCHEMBL2137534 0.96 ALDH1A1 (0.34) ALDH1A1CA1CA2ATMALOX5
SCHEMBL2137429 0.94 ALDH1A1 (0.35) ALDH1A1CA1CA2ATMHPGD
SCHEMBL2132082 0.94 CA1 (0.34) CA1CA2ALOX5PPARGPPARA
SCHEMBL2138003 0.93 CA1 (0.36) ALDH1A1CA1CA2ATMALOX5
SCHEMBL2134053 0.92 CA1 (0.36) ALDH1A1CA1CA2ATMALOX5
SCHEMBL2133832 0.91 CA1 (0.35) ALDH1A1CA1CA2ATMALOX5
SCHEMBL2135573 0.90 MAPT (0.34) CA1CA2CES1
SCHEMBL2135862 0.90 CA1 (0.35) ALDH1A1CA1CA2ATMALOX5
SCHEMBL2132498 0.89 ZDHHC7 (0.34) ALDH1A1CA1CA2ATMEPHX1
SCHEMBL2133379 0.89 ALDH1A1 (0.37) ALDH1A1CA1CA2ATMALOX5

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.