SCHEMBL21690944

SCHEMBL21690944

CC(C)(C)NCCCCCS(=O)(=O)NC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RELA Q04206 4/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
POLB P06746 1/20 0.31
RAB9A P51151 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
SCHEMBL21690865 0.98 POLB (0.32) RELAHRH4HRH3POLBRAB9A
SCHEMBL21690862 0.92
SCHEMBL21691005 0.79 GRIA1 (0.34) RELAHRH4HRH3
SCHEMBL22800827 0.79 EPHX2 (0.41) HRH4HRH3POLBRAB9A
SCHEMBL25751747 0.78 RELA (0.41) RELA
SCHEMBL21690942 0.78
SCHEMBL21690627 0.78
SCHEMBL7101767 0.78 ALDH1A1 (0.32)
SCHEMBL353687 0.77 APP (0.41) HRH4HRH3POLBRAB9A
SCHEMBL2197372 0.77 FAAH (0.43) RELA

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 RELA 3020/4885HRH4 4564/4885HRH3 4212/4885
US-11247984-B2 Uracil containing compounds UNG, DPYD, DUT RELA 3020/4885HRH4 4564/4885HRH3 4212/4885

“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.