SCHEMBL22723271

SCHEMBL22723271

CC(C)COc1cc(C(C)OC(N)=O)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ GRM2 Q14416 1/20 0.36
▸ GRM3 Q14832 1/20 0.36
▸ PTGER1 P34995 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ KEAP1 Q14145 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35

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
SCHEMBL22723270 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1GAAGRM2GRM3
SCHEMBL20190063 0.80 GRM2 (0.37) GRM2GRM3
SCHEMBL20201941 0.78 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1GAAGRM2
SCHEMBL765840 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1GAAGRM2
SCHEMBL17844798 0.77 LMNA (0.47) GRM2GRM3HIF1A
Hydrochloric Acid SCHEMBL22723229 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAAGRM2
SCHEMBL22723275 0.77 ADRB1 (0.43) HIF1A
SCHEMBL22723277 0.77 ADRB1 (0.43) HIF1A
Hydrochloric Acid SCHEMBL22723226 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1GAAGRM2
SCHEMBL22772337 0.74 SHBG (0.44) ALDH1A1GAAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-12-08 — — 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-10858344-B2 Hydantoin containing deoxyuridine triphosphatase inhibitors DUT, TYMP, DPYD SMN1; SMN2 3820/4885ALDH1A1 1207/4885GAA 347/4885

“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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