SCHEMBL2137151

SCHEMBL2137151

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
POLB P06746 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 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
SCHEMBL2137465 0.90 CA2 (0.35) METAP2ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL2135990 0.89 MAPT (0.39) METAP2ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL2134889 0.89 CPB2 (0.33) METAP2ALDH1A1CYP3A4ALOX15TSHR
SCHEMBL2137572 0.88 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2137396 0.87 EPHX1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2137051 0.87 EPHX1 (0.35) ALDH1A1CYP3A4ALOX15TSHRTDP1
SCHEMBL2134925 0.86 CA1 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2138675 0.85 TSHR (0.33) ALDH1A1TSHR
SCHEMBL2135124 0.85 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1POLB
SCHEMBL2137802 0.85 LMNA (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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 METAP2 1469/4885ALDH1A1 41/4885CYP3A4 257/4885

“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.