SCHEMBL2139203

SCHEMBL2139203

CCOC(=O)C(SCCC(F)(F)C(F)(F)F)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
CPB1 P15086 1/20 0.31
METAP2 P50579 1/20 0.30
EPHX1 P07099 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
SCHEMBL2137182 0.91 ESR1 (0.33) ALDH1A1KMT2APOLB
SCHEMBL2135964 0.90 EPHX1 (0.30) ALDH1A1KMT2AEPHX1
SCHEMBL2135829 0.88 EPHX1 (0.33) EPHX1
SCHEMBL2134595 0.88
SCHEMBL2136914 0.87 ALDH1A1 (0.33) ALDH1A1KMT2APOLBCPB1METAP2
SCHEMBL2138539 0.86 GAA (0.32)
SCHEMBL2134415 0.86 SMN1; SMN2 (0.32) EPHX1
SCHEMBL2133029 0.85 ALDH1A1 (0.35) ALDH1A1POLBEPHX1
SCHEMBL2135249 0.84 EPHX1 (0.30) EPHX1
SCHEMBL2137637 0.84 NPSR1 (0.34) ALDH1A1POLBMETAP2EPHX1

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 41/4885KMT2A 4261/4885POLB 3794/4885

“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.