SCHEMBL1178873

SCHEMBL1178873

CCON=C(C#N)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 4/20 0.33
ALOX12 P18054 3/20 0.33
MEN1 O00255 3/20 0.33
CYP2C9 P11712 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.30
KDM4E B2RXH2 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
Acetic Acid SCHEMBL29570469 0.96 ALDH1A1 (0.33) ALDH1A1TSHRKMT2AALOX12MEN1
Ethyl Acetate SCHEMBL30954647 0.89 ALDH1A1 (0.47) ALDH1A1TSHRKMT2AALOX12MEN1
SCHEMBL30517388 0.86 ALDH1A1 (0.32) ALDH1A1TSHRKMT2AALOX12MEN1
SCHEMBL30577532 0.85 ALDH1A1 (0.41) ALDH1A1TSHRKMT2AALOX12MEN1
SCHEMBL10874557 0.84 PPARG (0.31)
SCHEMBL13748906 0.82 KMT2A (0.35) ALDH1A1TSHRKMT2AALOX12MEN1
SCHEMBL8570905 0.82 CYP2C9 (0.44) ALDH1A1TSHRKMT2AALOX12MEN1
SCHEMBL8570901 0.82 CYP2C9 (0.44) ALDH1A1TSHRKMT2AALOX12MEN1
SCHEMBL11786885 0.82 CYP2C9 (0.44) ALDH1A1TSHRKMT2AALOX12MEN1
SCHEMBL14877356 0.81 ESR1 (0.37) ALDH1A1TSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319660-B2 Preparation of substituted diaminopyrazine dicarboxylic acids MEDIBEACON INC. (US) 2025-06-03 US claimed
US-20250109170-A1 METHOD FOR MANUFACTURING GANIRELIX ANYGEN CO., LTD. (KR) 2025-04-03 US claimed
EP-4313172-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS Medibeacon Inc. (US) 2024-02-07 EP claimed
CN-114945580-B Method for synthesizing south Ji Botai 北京费森尤斯卡比医药有限公司 2023-12-15 CN claimed
EP-4201951-B1 METHOD FOR PEPTIDE SYNTHESIS BACHEM HOLDING AG (CH) 2023-11-22 EP claimed
WO-2023101490-A1 NOVEL METHOD FOR MANUFACTURING GANIRELIX 애니젠 주식회사 2023-06-08 WO claimed
US-20220324818-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS MEDIBEACON INC. 2022-10-13 US claimed
CN-114945580-A Method for synthesizing Nanjibor peptide 北京费森尤斯卡比医药有限公司 2022-08-26 CN claimed
EP-3450439-B1 METHOD FOR PRODUCING MONOMER FOR SINGLE-STRANDED NUCLEIC ACID MOLECULE SUMITOMO CHEMICAL CO (JP) 2021-01-20 EP claimed
EP-3110828-B1 CONTINUOUS FLOW PEPTIDE SYNTHESIS UNIV SZEGEDI (HU) 2020-12-09 EP claimed
WO-2019005796-A1 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF ZHAO QIAN (US) 2019-01-03 WO claimed
WO-2018081417-A2 PROCESS FOR THE PREPARATION OF PYRAZOLO[1,5-a]PYRIMIDINES AND SALTS THEREOF ZHAO QIAN (US) 2018-05-03 WO claimed
EP-3110828-A1 CONTINUOUS FLOW PEPTIDE SYNTHESIS Szegedi Tudományegyetem (HU) 2017-01-04 EP claimed
EP-2694531-B1 METHODS FOR MANUFACTURING AN ANTIFUNGAL AGENT XELLIA PHARMACEUTICALS APS (DK) 2016-09-14 EP claimed
WO-2015128687-A1 CONTINUOUS FLOW PEPTIDE SYNTHESIS Szegedi Tudományegyetem (HU) 2015-09-03 WO claimed
US-8981055-B2 Methods for manufacturing an antifungal agent XELLIA PHARMACEUTICALS APS (DK) 2015-03-17 US claimed
US-20140371422-A1 METHODS FOR MANUFACTURING AN ANTIFUNGAL AGENT XELLIA PHARMACEUTICALS APS (DK) 2014-12-18 US claimed
EP-2694531-A1 METHODS FOR MANUFACTURING AN ANTIFUNGAL AGENT Xellia Pharmaceuticals ApS (DK) 2014-02-12 EP claimed
WO-2012136498-A1 METHODS FOR MANUFACTURING AN ANTIFUNGAL AGENT XELLIA PHARMACEUTICALS APS (DK) 2012-10-11 WO claimed
US-20070114155-A1 Hydrotreating and/or hydrocracking catalyst of hydrocarbons and preparation thereof TOTAL RAFFINAGE FRANCE (FR) 2007-05-24 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 (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-12319660-B2 Preparation of substituted diaminopyrazine dicarboxylic acids DDC, DPYD, SDHA ALDH1A1 205/4885TSHR 4451/4885KMT2A 1466/4885
US-20140371422-A1 METHODS FOR MANUFACTURING AN ANTIFUNGAL AGENT DPM1, ERG28, MANBA ALDH1A1 2575/4885TSHR 4661/4885KMT2A 3563/4885
US-20220324818-A1 PREPARATION OF SUBSTITUTED DIAMINOPYRAZINE DICARBOXYLIC ACIDS DDC, DPYD, SDHA ALDH1A1 205/4885TSHR 4451/4885KMT2A 1466/4885
US-20250109170-A1 METHOD FOR MANUFACTURING GANIRELIX VIP, GLP1R, CCKBR ALDH1A1 3518/4885TSHR 1257/4885KMT2A 4309/4885

“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.