SCHEMBL17016482

SCHEMBL17016482

COC(=O)C(Cn1ccc(=O)[nH]c1=O)Cn1cc(C)c(=O)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.45
▸ TYMP P19971 3/20 0.44
▸ DUT P33316 2/20 0.44
▸ MAPK1 P28482 1/20 0.43
▸ TK1 P04183 4/20 0.42
▸ HPGD P15428 1/20 0.42

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
SCHEMBL16380801 0.90 TYMP (0.52) TYMPMAPK1TK1HPGD
SCHEMBL17016484 0.88 DUT (0.51) PKMTYMPDUTMAPK1TK1
SCHEMBL17016481 0.83 PKM (0.50) PKMTYMPMAPK1TK1HPGD
SCHEMBL18358008 0.78 PKM (0.45) PKMTYMPMAPK1TK1HPGD
SCHEMBL17016636 0.78 TK1 (0.46) TYMPDUTMAPK1TK1HPGD
SCHEMBL18357541 0.77 MAPK1 (0.49) TYMPMAPK1TK1HPGD
SCHEMBL17016708 0.77 TYMP (0.47) PKMTYMPMAPK1TK1HPGD
SCHEMBL17016710 0.76 TK1 (0.52) PKMTYMPDUTMAPK1TK1
SCHEMBL16380800 0.76 TYMP (0.55) TYMPMAPK1TK1HPGD
SCHEMBL17016637 0.74 TAS1R3 (0.51) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170000712-A1 SUNLESS TANNING COMPOUNDS AND COMPOSITIONS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-01-05 — — US disclosed
US-9364406-B2 Open chained or fused 1,1′-alkylene-bis-uracil derivatives, useful in skin UV-protection REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-06-14 — — US disclosed
US-20150231051-A1 OPEN CHAINED OR FUSED 1,1 '-ALKYLENE-BIS-URACIL DERIVATIVES, USEFUL IN SKIN UV-PROTECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-08-20 — — 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-20170000712-A1 SUNLESS TANNING COMPOUNDS AND COMPOSITIONS TYR, SUN2, ERCC4 PKM 4543/4885TYMP 1884/4885DUT 2213/4885
US-20150231051-A1 OPEN CHAINED OR FUSED 1,1 '-ALKYLENE-BIS-URACIL DERIVATIVES, USEFUL IN SKIN UV-PROTECTION UNG, ERCC1, ERCC2 PKM 4075/4885TYMP 115/4885DUT 119/4885

“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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