SCHEMBL214942

SCHEMBL214942

CC(C)[C@@H](C(=O)O)N(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.40
SLC7A5 Q01650 1/20 0.39
ADAMTS4 O75173 1/20 0.39
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
GABRR1 P24046 2/20 0.35
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 2/20 0.33
MMP3 P08254 1/20 0.32
MMP12 P39900 1/20 0.32
MMP14 P50281 1/20 0.32
MMP16 P51512 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL14890392 1.00 TP53 (0.40) TP53SLC7A5ADAMTS4DPP4DPP8
SCHEMBL15023 1.00 TP53 (0.40) TP53SLC7A5ADAMTS4DPP4DPP8
SCHEMBL18921013 1.00 TP53 (0.40) TP53SLC7A5ADAMTS4DPP4DPP8
Valine SCHEMBL18000820 0.86 SLC7A5 (0.65) TP53SLC7A5ADAMTS4DPP4DPP8
SCHEMBL26449009 0.81 TP53 (0.41) TP53SLC7A5ADAMTS4
SCHEMBL26449008 0.81 TP53 (0.41) TP53SLC7A5ADAMTS4
SCHEMBL4300140 0.80 SLC7A5 (0.43) TP53SLC7A5ADAMTS4GABRR1MMP2
SCHEMBL196164 0.80 TP53 (0.45) TP53SLC7A5ADAMTS4
SCHEMBL7424097 0.80 TP53 (0.45) TP53SLC7A5ADAMTS4
SCHEMBL196163 0.80 TP53 (0.45) TP53SLC7A5ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025109604-A1 DOLASTATIN 10 ANALOGS Ariel Scientific Innovations Ltd. (IL) 2025-05-30 WO claimed
CN-119592528-A L-amino acid ligase and application thereof in catalytic synthesis of L-valine dipeptide and derivatives thereof 上海合全药物研发有限公司 2025-03-11 CN claimed
CN-113491776-B Anti-CD 269 antibody-drug conjugate (ADC), anti-CD 269 antibody and uses thereof 马克思-德布鲁克-分子医学中心亥姆霍兹联合会 2025-01-21 CN claimed
WO-2024178140-A1 COMPOSITIONS AND METHODS FOR TARGETING TUMOR-ASSOCIATED MACROPHAGES RESOLUTE SCIENCE, INC. (US) 2024-08-29 WO claimed
WO-2024178139-A1 COMPOSITIONS AND METHODS FOR TARGETING TUMOR-ASSOCIATED MACROPHAGES RESOLUTE SCIENCE, INC. (US) 2024-08-29 WO claimed
CN-117881394-A Pharmaceutical composition and oral dosage form of ketamine derivative 凯瑞康宁生物工程(武汉)有限公司 2024-04-12 CN claimed
US-20240036055-A1 Multiplexed DiLeu-Biotin-Azide (DBA) Tag Enabled Isobaric Tandem Orthogonal Proteolysis Activity-Based Protein Profiling (isoBOP-ABPP) Platform For High-Throughput Quantitative Pan-PTM Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION 2024-02-01 US claimed
CN-111836798-B Prodrugs of ketamine, compositions and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2022-04-15 CN claimed
CN-112135812-A Ketamine derivatives and pharmaceutical compositions thereof 凯瑞康宁生物工程(武汉)有限公司 2020-12-25 CN claimed
US-10414822-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same ZYMEWORKS INC. (CA) 2019-09-17 US claimed
US-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US claimed
US-20120028905-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A The State of Oregon, Acting by and through the State Board of Higher Education on behalf of 2012-02-02 US claimed
US-8034780-B2 Isolation, purification, and structure elucidation of the antiproliferative compound coibamide A SMITHSONIAN TROPICAL RESEARCH INSTITUTE 2011-10-11 US claimed
WO-2011033296-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-24 WO claimed
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 US claimed
US-20090023642-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A THE STATE OF OREGON, ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF OREGON STATE UNIVERSITY 2009-01-22 US claimed
EP-1049481-B1 SYNTHETIC ANTINEOPLASTIC AGENTS DERIVED FROM DOLASTATIN 15 AND METHODS OF MAKING SAME UNIV ARIZONA (US) 2005-04-20 EP claimed
EP-0842142-B1 PROCESS FOR PRODUCING ALPHA-(N,N DIALKYL)-AMINO CARBOXYLIC ACID AMIDES BASF AG (DE) 2001-09-26 EP claimed
US-5945543-A REACTING CORRESPONDING FREE ACIDS WITH PRIMARY OR SECONDARY AMINES IN THE PRESENCE OF ANHYDRIDES OF AN ALKANEPHOSPHONIC ACID BASF AKTIENGESELLSCHAFT (DE) 1999-08-31 US claimed
US-4978744-A Synthesis of dolastatin 10 ARIZONA BOARD OF REGENTS (US) 1990-12-18 US claimed

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-20090023642-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A TOP2B, MCL1, MKI67 TP53 166/4885SLC7A5 1596/4885ADAMTS4 2926/4885
US-20120028905-A1 Isolation, Purification, and Structure Elucidation of the Antiproliferative Compound Coibamide A TOP2B, MCL1, MKI67 TP53 166/4885SLC7A5 1596/4885ADAMTS4 2926/4885
US-10414822-B2 Cytotoxic and anti-mitotic compounds, and methods of using the same CCNB1, PLK1, BOD1L1 TP53 55/4885SLC7A5 3475/4885ADAMTS4 3349/4885
US-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA TP53 4233/4885SLC7A5 121/4885ADAMTS4 1110/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA TP53 4233/4885SLC7A5 121/4885ADAMTS4 1110/4885

“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.