SCHEMBL20161950

SCHEMBL20161950

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nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PYGB P11216 3/20 0.41
CA12 O43570 10/20 0.40
CA9 Q16790 10/20 0.40
CA1 P00915 9/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 4/20 0.40
CA5A P35218 4/20 0.40
CA7 P43166 4/20 0.40
CA13 Q8N1Q1 3/20 0.40
CA14 Q9ULX7 2/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 1/20 0.40
GAA P10253 1/20 0.38

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
SCHEMBL20161473 1.00 PYGB (0.41) PYGBCA12CA9CA1CA2
SCHEMBL18214249 0.88 LGALS3 (0.45)
SCHEMBL18214222 0.85 FUCA1 (0.34)
SCHEMBL20161941 0.81 PYGB (0.45) PYGBCA12CA9CA1CA2
SCHEMBL20161572 0.81 PYGB (0.45) PYGBCA12CA9CA1CA2
SCHEMBL20161451 0.75 PYGB (0.38) PYGBGAA
SCHEMBL20161404 0.75 PYGB (0.38) PYGBGAA
SCHEMBL20161668 0.75 PYGB (0.38) PYGBGAA
SCHEMBL18214252 0.75 SYNJ2 (0.39) PYGBGAA
SCHEMBL20158779 0.75 SYNJ2 (0.39) PYGBGAA

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-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same L'OREAL (FR) 2021-06-29 US disclosed
US-20180133137-A1 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME L'OREAL (FR) 2018-05-17 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-20180133137-A1 PROCESS FOR TREATING KERATIN MATERIALS USING AMIDE, ACID OR ESTER C-GLYCOSIDE DERIVATIVES, AND COSMETIC COMPOSITION CONTAINING SAME KRT18, CUTA, GLA PYGB 3409/4885CA12 174/4885CA9 451/4885
US-11045411-B2 Process for treating keratin materials using amide, acid or ester c-glycoside derivatives, and cosmetic composition containing same KRT18, CUTA, GLA PYGB 3409/4885CA12 174/4885CA9 451/4885

“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.