SCHEMBL20625634

SCHEMBL20625634

CC(=O)OCc1[nH]c(=O)[nH]c(=O)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 16/20 0.45
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL20625636 0.79 TYMP (0.42) TYMP
SCHEMBL20599932 0.78 TYMP (0.46) TYMP
SCHEMBL20625633 0.75 TDP1 (0.49) TYMPALDH1A1KDM4EHSD17B10
SCHEMBL10878625 0.75 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10
SCHEMBL20599912 0.75 TYMP (0.44) TYMP
SCHEMBL20599949 0.74 TYMP (0.45) TYMP
SCHEMBL20625526 0.72 TYMP (0.43) TYMP
SCHEMBL20799748 0.71 TYMP (0.50) TYMP
SCHEMBL20599962 0.71 TYMP (0.59) TYMP
SCHEMBL6060121 0.69 TYMP (0.52) TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D. E. SHAW RESEARCH, LLC 2025-05-01 — — US disclosed
EP-4472627-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. Shaw Research, LLC (US) 2024-12-11 — — EP disclosed
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 — — WO disclosed
WO-2023150592-A2 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS D.E. SHAW RESEARCH, LLC (US) 2023-08-10 — — WO disclosed
WO-2019002407-A1 PROCESS FOR THE PREPARATION OF TIPIRACIL HYDROCHLORIDE AMNEAL PHARMACEUTICALS COMPANY GMBH (CH) 2019-01-03 — — 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-20250136587-A1 N3-SUBSTITUTED URACIL COMPOUNDS AS TRPA1 INHIBITORS TRPA1, TRPV1, SLC28A1 TYMP 276/4885ALDH1A1 268/4885KDM4E 4377/4885

“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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