SCHEMBL2134774

SCHEMBL2134774

COC(=O)C(C)SCCC(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
CYP2C9 P11712 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA14 Q9ULX7 1/20 0.31
HTT P42858 1/20 0.31
METAP2 P50579 1/20 0.31
ZDHHC7 Q9NXF8 1/20 0.31
EPHX1 P07099 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30
TSHR P16473 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
SCHEMBL2136559 0.87 EPHX1 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDAPOBEC3G
SCHEMBL2135653 0.86 EPHX1 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDAPOBEC3G
SCHEMBL2138245 0.86 EPHX1 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDAPOBEC3G
SCHEMBL2137218 0.83 METAP2 (0.39) ALDH1A1KDM4ECYP2C9METAP2EPHX1
SCHEMBL2139050 0.83 TSHR (0.32) EPHX1TSHR
SCHEMBL2138121 0.81 TSHR (0.36) ALDH1A1L3MBTL1TSHR
SCHEMBL2134244 0.81 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4EHPGDAPOBEC3G
SCHEMBL2134786 0.81 SMN1; SMN2 (0.35) SMN1; SMN2CA1CA2CA14METAP2
SCHEMBL2134162 0.80 MME (0.33) SMN1; SMN2CA1CA2
SCHEMBL2134370 0.80 NOS1 (0.35) CA1CA2

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 SMN1; SMN2 4843/4885ALDH1A1 41/4885KDM4E 4157/4885

“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.