SCHEMBL574633

SCHEMBL574633

CC(C)CNC(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.39
MMP1 P03956 1/20 0.38
MMP8 P22894 1/20 0.38
RNPEP Q9H4A4 1/20 0.37
SLC7A5 Q01650 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
APAF1 O14727 1/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL10954429 1.00 CYP2D6 (0.50) CYP2D6CYP2C19MAPTPKMMMP1
SCHEMBL10084435 0.82 TP53 (0.41) CYP2D6CYP2C19MAPTALDH1A1TP53
SCHEMBL4582880 0.82 TP53 (0.41) CYP2D6CYP2C19TP53MMEACE
SCHEMBL4582873 0.82 TP53 (0.41) CYP2D6CYP2C19TP53MMEACE
SCHEMBL6374401 0.82 TP53 (0.41) CYP2D6CYP2C19MAPTALDH1A1TP53
SCHEMBL2559274 0.82 TP53 (0.41) CYP2D6CYP2C19MAPTALDH1A1TP53
SCHEMBL22887450 0.82 TP53 (0.41) CYP2D6CYP2C19MAPTALDH1A1TP53
SCHEMBL28674291 0.80 TP53 (0.39) CYP2D6CYP2C19TP53MMEACE
SCHEMBL29178917 0.80 TP53 (0.39) CYP2D6CYP2C19TP53MMEACE
SCHEMBL29178997 0.80 TP53 (0.39) CYP2D6CYP2C19TP53MMEACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4234030-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2023-08-30 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114644651-A Process for producing aryloxyphosphorylated amino acid ester compound 中国人民解放军军事科学院军事医学研究院 2022-06-21 CN disclosed
US-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2022-06-02 US disclosed
CN-113544122-A Cyclopentyl nucleoside analogs as antiviral agents 詹森生物制药有限公司 2021-10-22 CN disclosed
WO-2021030469-A1 THERAPEUTIC MITOCHONDRIAL PEPTIDES COHBAR, INC. (US) 2021-02-18 WO disclosed
US-20210024494-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2021-01-28 US disclosed
US-10774071-B2 PD-1/PD-L1 inhibitors GILEAD SCIENCES, INC. (US) 2020-09-15 US disclosed
EP-3606615-A1 HAIR CARE COMPOSITIONS Yissum Research and Development Company of the Hebrew University of Jerusalem Ltd. (IL) 2020-02-12 EP disclosed
US-20200017471-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2020-01-16 US disclosed
EP-2600885-A2 METHODS OF TREATING AUTOIMMUNE DISEASES OF THE CENTRAL NERVOUS SYSTEM (CNS) AND NEURODEGENERATIVE DISEASES Ramot at Tel Aviv University, Ltd. (IL) 2013-06-12 EP disclosed
WO-2013059885-A2 POLYPEPTIDE CONSTRUCTS AND USES THEREOF CEPHALON AUSTRALIA PTY LTD (AU) 2013-05-02 WO disclosed
WO-2013030840-A2 ADHESIVE BIOPOLYMERS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2013-03-07 WO disclosed
WO-2012162828-A1 MATRIPTASE INHIBITORS AND USES THEREOF AGAINST ORTHOMYXOVIRIDAE INFECTIONS SOCPRA SCIENCES SANTÉ ET HUMAINES S.E.C. (CA) 2012-12-06 WO disclosed
EP-2478009-A1 PEPTIDES FOR THE TREATMENT OF OXIDATIVE STRESS RELATED DISORDERS Ramot at Tel-Aviv University Ltd. (IL) 2012-07-25 EP disclosed
WO-2012017439-A2 METHODS OF TREATING AUTOIMMUNE DISEASES OF THE CENTRAL NERVOUS SYSTEM (CNS) AND NEURODEGENERATIVE DISEASES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-02-09 WO disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed
WO-2011033511-A1 PEPTIDES FOR THE TREATMENT OF OXIDATIVE STRESS RELATED DISORDERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-03-24 WO disclosed
US-4525294-A Amino acid mixtures, their alkali metal salts and process for preparing same EXXON RESEARCH AND ENGINEERING CO. (US) 1985-06-25 US disclosed
US-4069385-A FROM AN OLEFIN AND AN ORGANIC PEROXIDE WITH COPPER-SCHIFF BASE COMPEX AS CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-01-17 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 (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-10774071-B2 PD-1/PD-L1 inhibitors PDCD1, CD274, PDCD1LG2 CYP2D6 3043/4885CYP2C19 4451/4885MAPT 3557/4885
US-20200017471-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 3043/4885CYP2C19 4451/4885MAPT 3557/4885
US-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME PDCD1, PDCD1LG2, CD274 CYP2D6 1842/4885CYP2C19 1407/4885MAPT 1058/4885
US-20210024494-A1 PD-1/PD-L1 INHIBITORS PDCD1, CD274, PDCD1LG2 CYP2D6 3043/4885CYP2C19 4451/4885MAPT 3557/4885

“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.