SCHEMBL29612276

SCHEMBL29612276

CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.54
▸ BACE2 Q9Y5Z0 2/20 0.53
▸ CTSD P07339 1/20 0.53
▸ GNPAT O15228 1/20 0.52
▸ OPRK1 P41145 1/20 0.49

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
SCHEMBL29568803 0.93 BACE1 (0.50) BACE1BACE2CTSDOPRK1
SCHEMBL10379929 0.93 GNPAT (0.54) BACE1BACE2CTSDGNPATOPRK1
SCHEMBL10379927 0.93 GNPAT (0.54) BACE1BACE2CTSDGNPATOPRK1
SCHEMBL29611583 0.92 NPY1R (0.52) BACE1BACE2
SCHEMBL29496478 0.92 MMP2 (0.54) BACE1BACE2CTSDGNPATOPRK1
SCHEMBL29496483 0.92 MMP2 (0.54) BACE1BACE2CTSDGNPATOPRK1
SCHEMBL29904560 0.92 MMP2 (0.54) BACE1BACE2CTSDGNPATOPRK1
SCHEMBL31170895 0.92 GNPAT (0.57) GNPATOPRK1
SCHEMBL29573446 0.92 GNPAT (0.57) GNPATOPRK1
SCHEMBL30974493 0.90 BACE1 (0.54) BACE1BACE2CTSDGNPAT

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-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes LUBRIZOL ADVANCED MATERIALS, INC. (US) 2025-09-23 — — US disclosed
US-20220183950-A1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MATERIALS, INC. (US) 2022-06-16 — — 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-20220183950-A1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES TYR, TELO2, MTX2 BACE1 3288/4885BACE2 3110/4885CTSD 4697/4885
US-12419824-B2 Compounds useful for the treatment and/or care of the skin, hair, nails and/or mucous membranes TYR, TELO2, MTX2 BACE1 3288/4885BACE2 3110/4885CTSD 4697/4885

“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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