SCHEMBL3369193

SCHEMBL3369193

CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
PDE4B Q07343 3/20 0.39
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NAMPT P43490 1/20 0.36
ADORA1 P30542 1/20 0.36
TACR1 P25103 2/20 0.36
RORC P51449 1/20 0.36
HPGD P15428 1/20 0.35
PPM1B O75688 1/20 0.35
PTPN1 P18031 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
SCHEMBL1053828 1.00 NR1H2 (0.46) NR1H2MEN1ALDH1A1KMT2ATSHR
SCHEMBL3369192 1.00 NR1H2 (0.46) NR1H2MEN1ALDH1A1KMT2ATSHR
Water SCHEMBL1055202 0.99 NR1H2 (0.44) NR1H2MEN1ALDH1A1KMT2ATSHR
Water SCHEMBL1055969 0.99 NR1H2 (0.44) NR1H2MEN1ALDH1A1KMT2ATSHR
SCHEMBL2930654 0.94 NR1H2 (0.50) NR1H2MEN1ALDH1A1KMT2ATSHR
SCHEMBL2930651 0.94 NR1H2 (0.50) NR1H2MEN1ALDH1A1KMT2ATSHR
SCHEMBL1052491 0.94 NR1H2 (0.50) NR1H2MEN1ALDH1A1KMT2ATSHR
Furan SCHEMBL3838396 0.90 NR1H2 (0.39) NR1H2MEN1ALDH1A1KMT2ATSHR
SCHEMBL15684099 0.89 NR1H2 (0.43) NR1H2MEN1ALDH1A1KMT2ATSHR
SCHEMBL24555863 0.87 NR1H2 (0.47) NR1H2MEN1ALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4171547-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF Axial Therapeutics, Inc. (US) 2023-05-03 EP disclosed
US-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 US disclosed
US-11358972-B2 Pentacyclic heterocycles EISAI R&D MANAGEMENT CO., LTD. (JP) 2022-06-14 US disclosed
CN-113453762-A Pentacyclic heterocyclic compounds 卫材R&D管理有限公司 2021-09-28 CN disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 US disclosed
US-20200283452-A1 PENTACYCLIC HETEROCYCLES EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-09-10 US disclosed
EP-2435037-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
EP-2435037-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-12 EP disclosed
US-8497383-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-30 US disclosed
US-8497383-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2013-07-30 US disclosed
WO-2010138338-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2010-12-02 WO disclosed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
US-7550487-B2 Pyrrolidine-3,4-dicarboxamide derivatives HOFFMANN-LA ROCHE INC. (US) 2009-06-23 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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 (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-11358972-B2 Pentacyclic heterocycles CYP2C19, CYP2C18, XDH NR1H2 458/4885MEN1 341/4885ALDH1A1 352/4885
US-20200283452-A1 PENTACYCLIC HETEROCYCLES CYP2C19, CYP2C18, XDH NR1H2 458/4885MEN1 341/4885ALDH1A1 352/4885
US-20080194549-A1 Organic Compounds REN, ACE, OTC NR1H2 2620/4885MEN1 2785/4885ALDH1A1 224/4885

“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.