SCHEMBL626316

SCHEMBL626316

CN(C(=O)OC(C)(C)C)[C@@H](CO)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC6 Q9UBN7 2/20 0.33
CA14 Q9ULX7 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ASGR1 P07306 1/20 0.31
REN P00797 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
SCHEMBL626315 1.00 AAK1 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL16972355 1.00 AAK1 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL9447853 0.86 MMP13 (0.38) AAK1MMP13MEN1GAAKMT2A
SCHEMBL27908634 0.85 MMP13 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL7401175 0.85 MMP13 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL1162878 0.85 MMP13 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL1273585 0.85 MMP13 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL953166 0.85 MMP13 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL7401177 0.85 MMP13 (0.39) AAK1MMP13MEN1GAAKMT2A
SCHEMBL2480210 0.85 MMP13 (0.36) AAK1MMP13MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12577262-B2 Functionalized gold carbene napthaquinone complexes for use in the treatment of cancer BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-03-17 US disclosed
CN-119775170-A Preparation method of sabatier starter intermediate 浙江工业大学 2025-04-08 CN disclosed
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2024-11-07 US disclosed
US-12091432-B2 Compounds and methods for synthesizing sphingosines and glycolipids GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2024-09-17 US disclosed
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
EP-4405353-A1 NEW COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2024-07-31 EP disclosed
CN-118324664-A Serine derivative preparation method 四川鸿日医药科技有限公司 2024-07-12 CN disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116903552-A Chiral alpha-amino alcohol compound and preparation method and application thereof 上海大学 2023-10-20 CN disclosed
CN-116891488-A Condensed-cyclic compound, pharmaceutical composition containing condensed-cyclic compound and application of condensed-cyclic compound 成都海博为药业有限公司 2023-10-17 CN disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
US-20080206805-A1 Compounds and Related Methods for Mutant p53 Reactivation APPELLA DANIEL H 2008-08-28 US disclosed
WO-2008050341-A2 NOVEL PSYCHOTROPIC AGENTS HAVING GLUTAMATE NMDA ACTIVITY RAMOT AT TEL-AVIV UNIVERSITY LTD (IL) 2008-05-02 WO disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
US-7329775-B2 Compounds and related methods for mutant p53 reactivation NORTHWESTERN UNIVERSITY (US) 2008-02-12 US disclosed
WO-2007066099-A1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-06-14 WO disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP 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 (5 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-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S AAK1 4783/4885MMP13 2771/4885MEN1 531/4885
US-12577262-B2 Functionalized gold carbene napthaquinone complexes for use in the treatment of cancer RECQL, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCCS AAK1 968/4885MMP13 4832/4885MEN1 2762/4885
US-20240368150-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER BICRA, BRD4, CNR1 AAK1 3346/4885MMP13 3805/4885MEN1 928/4885
US-20050245616-A1 Compounds and related methods for mutant p53 reactivation TP53, TP53BP1, MDM2 AAK1 1741/4885MMP13 3370/4885MEN1 3957/4885
US-12091432-B2 Compounds and methods for synthesizing sphingosines and glycolipids SGMS2, SGMS1, SPHK2 AAK1 2173/4885MMP13 2591/4885MEN1 1577/4885

“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.