SCHEMBL17351925

SCHEMBL17351925

CN(C)c1cccc2c(S(=O)(=O)NC(Cc3cc(Br)c(O)c(Br)c3)C(=O)O)cccc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYMS P04818 5/20 0.57
F2 P00734 2/20 0.54
F10 P00742 1/20 0.50
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
BCL2 P10415 1/20 0.46
MCL1 Q07820 1/20 0.46
EDNRA P25101 3/20 0.46
HDAC4 P56524 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45

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
SCHEMBL9052993 0.86 TYMS (0.65) TYMSF2F10EDNRA
SCHEMBL4134328 0.86 TYMS (0.65) TYMSF2F10EDNRA
SCHEMBL29829755 0.86 TYMS (0.65) TYMSF2F10EDNRA
SCHEMBL4134334 0.86 TYMS (0.65) TYMSF2F10EDNRA
SCHEMBL29597077 0.85 F2 (0.63) TYMSF2F10EDNRA
SCHEMBL27578159 0.85 F2 (0.63) TYMSF2F10EDNRA
SCHEMBL17358280 0.82 EDNRA (0.44) TYMSF2F10BCL2MCL1
SCHEMBL6266410 0.81 TYMS (0.54) TYMSF2EDNRA
SCHEMBL5706271 0.81 TYMS (0.54) TYMSF2EDNRAHDAC4HDAC10
SCHEMBL180019 0.80 TYMS (0.53) TYMSF2EDNRA

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-20150368213-A1 Novel Inhibitors of System Xc- THE UNIVERSITY OF MONTANA 2015-12-24 US disclosed
US-20150368213-A1 Novel Inhibitors of System Xc- THE UNIVERSITY OF MONTANA 2015-12-24 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-20150368213-A1 Novel Inhibitors of System Xc- SLC7A11, SLC1A1, SLC1A2 TYMS 2541/4885F2 4520/4885F10 2864/4885

“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.