SCHEMBL30477098

SCHEMBL30477098

CC(C)C[C@H](N)[C@@H](O)CC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SLC7A5 Q01650 1/20 0.39
▸ MME P08473 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
SCHEMBL11035337 0.84 SLC7A5 (0.41) ALDH1A1SLC7A5MME
SCHEMBL11035341 0.84 SLC7A5 (0.41) ALDH1A1SLC7A5MME
SCHEMBL30015179 0.83 ALDH1A1 (0.51) ALDH1A1MME
SCHEMBL30685381 0.80 CTSD (0.44) CTSD
SCHEMBL23408869 0.77 ALDH1A1 (0.49) ALDH1A1NPSR1
SCHEMBL8531075 0.77 ALDH1A1 (0.49) ALDH1A1NPSR1
SCHEMBL24185850 0.77 ALDH1A1 (0.49) ALDH1A1NPSR1
SCHEMBL14376079 0.77 CTSD (0.37) CTSD
SCHEMBL23544660 0.76 MME (0.40) ALDH1A1MME
SCHEMBL30118087 0.76 MME (0.40) CTSDALDH1A1MME

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-117192312-B Machine learning-based secondary alternating current cable insulation abnormality monitoring method and system 云南电网有限责任公司 2024-04-19 — — CN claimed
CN-117192312-A Machine learning-based secondary alternating current cable insulation abnormality monitoring method and system 云南电网有限责任公司 2023-12-08 — — CN claimed
CN-117192312-B Machine learning-based secondary alternating current cable insulation abnormality monitoring method and system 云南电网有限责任公司 2024-04-19 — — CN disclosed
CN-117192312-A Machine learning-based secondary alternating current cable insulation abnormality monitoring method and system 云南电网有限责任公司 2023-12-08 — — CN disclosed
US-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION Ambetex Pty Ltd (AU) 2023-07-13 — — 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 (1 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-20230218629-A1 THERAPEUTIC COMPOSITIONS AND METHODS FOR PREVENTION AND TREATMENT OF DIASTOLIC DYSFUNCTION TNNI3, TNNT2, TNNC1 CTSD 354/4885ALDH1A1 3848/4885NPSR1 3452/4885

“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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