SCHEMBL17286172

SCHEMBL17286172

O=C(O)CSCCCCCCCCCSCCCNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.60
CASR P41180 1/20 0.58
KDR P35968 1/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA7 P43166 4/20 0.52
CA9 Q16790 4/20 0.52
GSK3B P49841 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRPV1 Q8NER1 5/20 0.47
PDK1 Q15118 1/20 0.46

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
SCHEMBL17286176 0.97 SLC6A3 (0.64) SLC6A3CASRKDRCA1CA2
SCHEMBL17286170 0.92 SLC6A3 (0.60) SLC6A3CASRKDRCA1CA2
SCHEMBL15741894 0.83 SLC6A3 (0.69) SLC6A3CASRKDRCA1CA2
SCHEMBL17275141 0.82 SLC6A3 (0.52) SLC6A3CASRKDRCA1CA2
SCHEMBL17275155 0.80 SLC6A3 (0.67) SLC6A3CASRKDRCA1CA2
SCHEMBL17286174 0.79 SLC6A3 (0.63) SLC6A3CASRKDRCA1CA2
SCHEMBL17286171 0.78 SLC6A3 (0.59) SLC6A3CASRKDRCA1CA2
SCHEMBL17286182 0.78 SLC6A3 (0.59) SLC6A3CASRKDRCA1CA2
SCHEMBL28137188 0.78 SLC6A3 (0.62) SLC6A3CASRKDRCA1CA2
SCHEMBL19046143 0.76 EPHX1 (0.58) SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183297-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2017-06-29 US disclosed
WO-2015176135-A1 OMEGA-3 ANALOGUES THE UNIVERSITY OF SYDNEY (AU) 2015-11-26 WO 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-20170183297-A1 OMEGA-3 ANALOGUES ELOVL3, PTGER3, PTGES3 SLC6A3 729/4885CASR 1701/4885KDR 309/4885

“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.