SCHEMBL21690780

SCHEMBL21690780

CC(C)(C)C/C=C/CCS(=O)(=O)NCc1cccc(OCC2CC2)c1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 15/20 0.63
▸ KDM5A P29375 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ TLR4 O00206 1/20 0.36
▸ TLR2 O60603 1/20 0.36

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
SCHEMBL12630546 0.86 DUT (0.66) DUTKDM5AKDM4CTLR4TLR2
SCHEMBL21690738 0.84 DUT (0.61) DUTKDM5AKDM4C
SCHEMBL21690987 0.82 DUT (0.66) DUT
SCHEMBL21690382 0.82 DUT (0.66) DUT
SCHEMBL21690427 0.81 DUT (0.62) DUTKDM5AKDM4C
SCHEMBL21690305 0.80 DUT (0.64) DUT
SCHEMBL1410101 0.78 DUT (1.00) DUT
SCHEMBL1410100 0.78 DUT (1.00) DUT
SCHEMBL13606412 0.77 DUT (0.62) DUTKDM5AKDM4C
SCHEMBL12630550 0.75 DUT (0.65) DUTKDM5AKDM4C

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-11247984-B2 Uracil containing compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2022-02-15 — — US disclosed
US-20200039966-A1 URACIL CONTAINING COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-02-06 — — 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 (2 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-20200039966-A1 URACIL CONTAINING COMPOUNDS UNG, DPYD, DUT DUT 3/4885KDM5A 996/4885KDM4C 983/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT DUT 3/4885KDM5A 996/4885KDM4C 983/4885

“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.

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