SCHEMBL19327491

SCHEMBL19327491

COC(=O)C(CC(=O)OC(C)(C)C)NC(=O)CN

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.40
▸ KLK5 Q9Y337 2/20 0.39
▸ CA12 O43570 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CACNA1B Q00975 5/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33

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
SCHEMBL19327492 1.00 CYP2D6 (0.40) CYP2D6KLK5CA12CA1CA2
SCHEMBL22398796 0.92 CYP2D6 (0.41) CYP2D6KLK5CA1CA2CA9
SCHEMBL22398798 0.92 CYP2D6 (0.41) CYP2D6KLK5CA1CA2CA9
SCHEMBL15075041 0.82 CYP2D6 (0.54) CYP2D6KLK5CA12CA1CA2
SCHEMBL12774554 0.79 CYP2D6 (0.44) CYP2D6KLK5CA12CA1CA2
SCHEMBL12712229 0.79 KLK5 (0.36) CYP2D6KLK5CA12CA1CA2
SCHEMBL20341530 0.79 L3MBTL1 (0.41) CYP2D6KLK5KMT2ACYP1A2CYP2C9
SCHEMBL20341539 0.78 L3MBTL1 (0.39) CYP2D6KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14598429 0.78 CYP2D6 (0.43) CYP2D6KLK5CA12CA1CA2
SCHEMBL8412872 0.78 CYP2D6 (0.43) CYP2D6KLK5CA12CA1CA2

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
CN-107207566-B Stable peptide-conjugated ascorbic acid derivatives, process for preparing same and cosmetic compositions containing same 赛特瑞恩股份有限公司 2021-01-22 — — CN disclosed
EP-3225620-B1 STABLE PEPTIDE-CONJUGATED ASCORBIC ACID DERIVATIVE, METHOD FOR PREPARING SAME, AND COSMETIC COMPOSITION CONTAINING SAME CELLTRION INC (KR) 2019-11-20 — — EP disclosed
US-10239902-B2 Stable peptide-conjugated ascorbic acid derivative, method for preparing same, and cosmetic composition comprising same CELLTRION INC. (KR) 2019-03-26 — — US disclosed
EP-3225620-A2 STABLE PEPTIDE-CONJUGATED ASCORBIC ACID DERIVATIVE, METHOD FOR PREPARING SAME, AND COSMETIC COMPOSITION CONTAINING SAME Celltrion Inc. (KR) 2017-10-04 — — EP disclosed
US-20170258931-A1 STABLE PEPTIDE-CONJUGATED ASCORBIC ACID DERIVATIVE, METHOD FOR PREPARING SAME, AND COSMETIC COMPOSITION COMPRISING SAME CELLTRION INC. (KR) 2017-09-14 — — 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-20170258931-A1 STABLE PEPTIDE-CONJUGATED ASCORBIC ACID DERIVATIVE, METHOD FOR PREPARING SAME, AND COSMETIC COMPOSITION COMPRISING SAME COL14A1, PROC, TYR CYP2D6 1716/4885KLK5 1058/4885CA12 1572/4885
US-10239902-B2 Stable peptide-conjugated ascorbic acid derivative, method for preparing same, and cosmetic composition comprising same COL14A1, PROC, TYR CYP2D6 1716/4885KLK5 1058/4885CA12 1572/4885

“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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