SCHEMBL643632

SCHEMBL643632

CC(O)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP2D6 P10635 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.32
MMP13 P45452 1/20 0.32
CA14 Q9ULX7 2/20 0.31
POLB P06746 1/20 0.30
MAPK1 P28482 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL5345861 0.84 AAK1 (0.35) AAK1HDAC6HDAC1HDAC2CYP2D6
SCHEMBL24488616 0.83 AAK1 (0.33) AAK1HDAC6HDAC1HDAC2CYP2D6
SCHEMBL8335981 0.83 AAK1 (0.33) AAK1HDAC6HDAC1HDAC2CYP2D6
SCHEMBL4794923 0.80 AAK1 (0.34) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL18885732 0.80 AAK1 (0.34) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL28449893 0.80 AAK1 (0.34) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL15766040 0.80 HDAC6 (0.37) AAK1HDAC6HDAC1HDAC2CA1
SCHEMBL27831663 0.80 MMP13 (0.34) AAK1HDAC6HDAC1HDAC2DGAT1
SCHEMBL21964901 0.80 CA1 (0.35) AAK1HDAC6HDAC1HDAC2CYP2D6
SCHEMBL5196404 0.79 AAK1 (0.32) AAK1HDAC6HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119875456-A Preparation method of low-temperature-resistant coating for natural gas metal pipeline 廊坊市泰锐通石油燃气管道工程有限公司 2025-04-25 CN claimed
EP-4606377-A2 NOVEL AMINO PYRIMIDINE DERIVATIVES Novartis AG (CH) 2025-08-27 EP disclosed
US-20250188088-A1 COMPOUND AND USE THEREOF ONQUALITY PHARMACEUTICALS CHINA LTD. (CN) 2025-06-12 US disclosed
EP-4219478-B1 METHOD OF PREPARING AMINO PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2025-06-11 EP disclosed
CN-119875456-A Preparation method of low-temperature-resistant coating for natural gas metal pipeline 廊坊市泰锐通石油燃气管道工程有限公司 2025-04-25 CN disclosed
EP-4484429-A1 COMPOUND AND USE THEREOF OnQuality Pharmaceuticals China Ltd. (CN) 2025-01-01 EP disclosed
CN-118994283-A Beta-D-galactopyranose compound, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-11-22 CN disclosed
CN-118715226-A Compounds and uses thereof 上海岸阔医药科技有限公司 2024-09-27 CN disclosed
CN-114341128-B Bifunctional protein degradation targeting chimeric compound, preparation method and medical application thereof 恩瑞生物医药科技(上海)有限公司 2024-06-25 CN disclosed
US-20230312483-A1 Amino Pyrimidine Derivatives NOVARTIS AG (CH) 2023-10-05 US disclosed
WO-2005075425-A2 SUBSTITUTED BISARYLUREA DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2005-08-18 WO disclosed
US-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2005-02-17 US disclosed
WO-2005007633-A1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-01-27 WO disclosed
EP-1212301-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-06-12 EP disclosed
WO-2001016107-A1 ARYLALKYLOXYALKYLAMINES AND ARYLALKYLTHIOALKYLAMINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS INHIBITORS OF NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2001-03-08 WO disclosed
EP-0706532-B1 Peptides having endothelin antagonictic activity,their preparation and pharmaceutical compositions FUJISAWA PHARMACEUTICAL CO (JP) 2000-02-02 EP disclosed
US-5888972-A ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-30 US disclosed
EP-0706532-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-17 EP disclosed
WO-1995000537-A1 NEW COMPOUND AND ITS PREPARATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-05 WO disclosed
US-4007184-A BACTERICIDE, ANIMAL GROWTH REGULATOR PFIZER INC. (US) 1977-02-08 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-20050038056-A1 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto GNRHR, GHRHR, LHCGR AAK1 4646/4885HDAC6 1962/4885HDAC1 855/4885
US-20230312483-A1 Amino Pyrimidine Derivatives BTK, LCK, JAK1 AAK1 325/4885HDAC6 2387/4885HDAC1 4181/4885
US-20250188088-A1 COMPOUND AND USE THEREOF CYP17A1, CYP11B2, CYP21A2 AAK1 3890/4885HDAC6 1736/4885HDAC1 3145/4885

“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.