SCHEMBL2695428

SCHEMBL2695428

CC(C)C[C@H](NO)[C@@H](O)CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.44
▸ CACNB3 P54284 1/20 0.44
▸ CACNA1C Q13936 1/20 0.44
▸ PGR P06401 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ CACNA2D2 Q9NY47 1/20 0.44
▸ MME P08473 2/20 0.39
▸ CTSD P07339 3/20 0.38
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ RNPEP Q9H4A4 1/20 0.35
▸ SLC7A5 Q01650 1/20 0.35
▸ PSMB5 P28074 1/20 0.35

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
SCHEMBL30442889 0.88 CACNA2D1 (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29885722 0.86 CACNA2D1 (0.42) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29729174 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30738235 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30395496 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL29384067 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30192411 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL11909491 0.84 CACNA2D1 (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL31003023 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL30373955 0.84 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427113-A Compositions comprising activatable antibodies 西托姆克斯治疗公司 2022-12-02 — — CN disclosed
WO-2020138370-A1 CANCER TREATMENT PHARMACEUTICAL COMPOSITION CONTAINING CDK INHIBITOR 大日本住友製薬株式会社 2020-07-02 — — WO disclosed
US-10077288-B2 Hydroxystatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2018-09-18 — — US disclosed
US-9624264-B2 Hydroxystatin derivatives for the treatment of arthrosis MERCK PATENT GMBH (DE) 2017-04-18 — — US disclosed
US-20170081361-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2017-03-23 — — US disclosed
US-9528156-B2 Method for determining the predisposition of a patient to changed biotransformation and to the development of undesired drug effects in a treatment of the patient with atrovastatin ROBERT BOSCH GMBH (DE) 2016-12-27 — — US disclosed
US-20150225451-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS MERCK PATENT GMBH (DE) 2015-08-13 — — US disclosed
US-20120107814-A1 Method for Determining the Predisposition of a Patient to Changed Biotransformation and to the Development of Undesired Drug Effects in a Treatment of the Patient with Atrovastatin ROBERT BOSCH GMBH (DE) 2012-05-03 — — 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-20170081361-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSB, CTSZ CACNA2D1 2960/4885CACNB3 3863/4885CACNA1C 4477/4885
US-10077288-B2 Hydroxystatin derivatives for the treatment of arthrosis CTSD, CTSB, CTSZ CACNA2D1 2960/4885CACNB3 3863/4885CACNA1C 4477/4885
US-20150225451-A1 HYDROXYSTATIN DERIVATIVES FOR THE TREATMENT OF ARTHROSIS CTSD, CTSB, CTSZ CACNA2D1 2960/4885CACNB3 3863/4885CACNA1C 4477/4885

“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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