SCHEMBL3412263

SCHEMBL3412263

CC1(C)[C@]2(O)[C@H](n3cnc4c(N)ncnc43)O[C@H](C(O)C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)[C@]12O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 1/20 0.55
HLCS P50747 3/20 0.54
STING1 Q86WV6 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39

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
SCHEMBL3411906 0.81 ADORA2A (0.50) ADORA3ADORA2A
SCHEMBL3411985 0.79 ADORA2A (0.53) ADORA3ADORA2A
SCHEMBL11703712 0.76 ADORA2A (0.54) ADORA3ADORA2A
SCHEMBL4138126 0.75 HLCS (0.67) HINT1HLCSSTING1
SCHEMBL20419033 0.75 HLCS (0.60) HINT1HLCSSTING1
SCHEMBL20419019 0.75 HLCS (0.60) HINT1HLCSSTING1
SCHEMBL6298549 0.75 ADORA2A (0.53) ADORA3ADORA2A
SCHEMBL3409898 0.75 ADORA2A (0.53) ADORA3ADORA2A
SCHEMBL23982212 0.75 HLCS (0.77) HINT1HLCS
SCHEMBL6709382 0.75 HLCS (0.77) HINT1HLCS

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-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US claimed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 US claimed
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF L'OREAL (FR) 2010-07-01 US disclosed
US-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN L'OREAL (FR) 2007-11-08 US disclosed
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION L'OREAL (FR) 2007-10-11 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 (3 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-20070258921-A1 PROCESS FOR DEPIGMENTING THE SKIN TYR, CUTA, NQO1 HINT1 1221/4885HLCS 3322/4885STING1 2379/4885
US-20070237734-A1 ANTI-WRINKLE COSMETIC COMPOSITION ADORA2A, ADORA3, ADORA1 HINT1 250/4885HLCS 3872/4885STING1 443/4885
US-20100168049-A1 COMBINATION OF MONOSACCHARIDES AND ADENOSINE AND USE THEREOF ADORA2A, ADORA1, ADORA3 HINT1 87/4885HLCS 3955/4885STING1 882/4885

“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.