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SCHEMBL68450

SCHEMBL68450

CC(C)[C@@H](CC(=O)O)NC(=O)OC(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.67
▸ CA2 P00918 2/20 0.67
▸ CA7 P43166 2/20 0.67
▸ CYP2D6 P10635 1/20 0.51
▸ CTSK P43235 10/20 0.49
▸ CTSS P25774 5/20 0.49
▸ CA4 P22748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ KLK5 Q9Y337 2/20 0.43
▸ CTSL P07711 2/20 0.43
▸ CTSB P07858 2/20 0.43
▸ KMT2A Q03164 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL68451 1.00 CA1 (0.67) CA1CA2CA7CYP2D6CTSK
SCHEMBL969077 1.00 CA1 (0.67) CA1CA2CA7CYP2D6CTSK
SCHEMBL4771470 0.88 CA1 (0.61) CA1CA2CA7CYP2D6CTSK
SCHEMBL16970604 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL8961360 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL272148 0.88 CA1 (0.56) CA1CA2CA7CYP2D6CTSK
SCHEMBL168390 0.86 CA1 (0.54) CA1CA2CA7CYP2D6CTSK
SCHEMBL16970732 0.86 CA1 (0.54) CA1CA2CA7CYP2D6CTSK
SCHEMBL7356326 0.86 CA1 (0.67) CA1CA2CA7CYP2D6CTSK
SCHEMBL14265317 0.85 CA1 (0.53) CA1CA2CA7CYP2D6CTSK

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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695238-A1 CDK2 INHIBITORS Blueprint Medicines Corporation (US) 2026-02-18 — — EP disclosed
EP-4501942-A1 PEPTIDOMIMETICS WITH ANTIVIRAL ACTIVITY Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2025-02-05 — — EP disclosed
WO-2024216154-A1 CDK2 INHIBITORS BLUEPRINT MEDICINES CORPORATION (US) 2024-10-17 — — WO disclosed
EP-4308552-A2 DERIVATIVES OF SUBSTITUTED MORPHOLINES AND USES THEREOF Supernus Pharmaceuticals, Inc. (US) 2024-01-24 — — EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 — — US disclosed
CN-116848096-A Substituted morpholine derivatives and use thereof 苏佩努斯制药公司 2023-10-03 — — CN disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 — — CN disclosed
CN-111566116-B Novel metal complex, process for producing the same, and process for producing gamma-lactam compound using the same 基础科学研究院 2023-06-09 — — CN disclosed
US-20220306618-A1 DERIVATIVES OF SUBSTITUTED MORPHOLINES AND USES THEREOF SUPERNUS PHARMACEUTICALS, INC. (US) 2022-09-29 — — US disclosed
WO-2022198062-A2 DERIVATIVES OF SUBSTITUTED MORPHOLINES AND USES THEREOF SUPERNUS PHARMACEUTICALS, INC. (US) 2022-09-22 — — WO disclosed
WO-2007058852-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 — — WO disclosed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 — — US disclosed
EP-1660085-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2006-05-31 — — EP disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 — — US disclosed
US-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 — — US disclosed
WO-2005013986-A1 PYRIDYLPYRROLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2005-02-17 — — WO disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 — — US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 — — US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 — — EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 — — WO 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 (4 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 CA1 4861/4885CA2 3954/4885CA7 4771/4885
US-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 CA1 2561/4885CA2 866/4885CA7 3148/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 CA1 4399/4885CA2 3091/4885CA7 4262/4885
US-20220306618-A1 DERIVATIVES OF SUBSTITUTED MORPHOLINES AND USES THEREOF SLC1A2, BDNF, OPRM1 CA1 2108/4885CA2 2705/4885CA7 3176/4885

“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.