SCHEMBL668401

SCHEMBL668401

CCOC(=O)C(C#N)=[N+]=[N-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
TSHR P16473 1/20 0.52
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTP4A1 Q93096 1/20 0.36
MIF P14174 1/20 0.36
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GLO1 Q04760 1/20 0.35
HPGD P15428 2/20 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
SCHEMBL2927909 0.72
SCHEMBL2204826 0.72 ALDH1A1 (0.43) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL2115865 0.72 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL10872877 0.72
SCHEMBL1754710 0.72 ALDH1A1 (0.61) ALDH1A1TSHRCYP2C9KDM4EMEN1
SCHEMBL5338908 0.70
SCHEMBL1370917 0.70
SCHEMBL14369117 0.69
SCHEMBL1372367 0.68 SOAT1 (0.42) ALDH1A1TSHRCYP2C9MEN1KMT2A
SCHEMBL18512590 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559577-B2 Chemical functionalization of cellulosic materials with diazo compounds Centre National de la Recherche Scientifique—CNRS- (FR) 2026-02-24 US disclosed
EP-4051667-B1 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS LILAC THERAPEUTICS INC (US) 2026-01-28 EP disclosed
EP-4622712-A1 SUBSTITUTED MACROCYCLIC AMINE MODULATORS OF OREXIN RECEPTOR 2 Vertex Pharmaceuticals Incorporated (US) 2025-10-01 EP disclosed
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2025-09-23 US disclosed
US-20250064787-A1 Heterocyclic Carboxylate Compounds as Glycolate Oxidase Inhibitors LILAC THERAPEUTICS INC (US) 2025-02-27 US disclosed
US-12168002-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors Lilac Therapeutics, Inc. (US) 2024-12-17 US disclosed
CN-115916844-B Chemically functionalizing cellulose materials with diazo compounds 国家科学研究中心 2024-12-10 CN disclosed
EP-4470538-A2 HETEROCYCLIC CARBOXYLATE COMPOUNDS AS GLYCOLATE OXIDASE INHIBITORS Lilac Therapeutics, Inc. (US) 2024-12-04 EP disclosed
WO-2024112899-A1 SUBSTITUTED MACROCYCLIC AMINE MODULATORS OF OREXIN RECEPTOR 2 VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-05-30 WO disclosed
US-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENT THERAPEUTICS LIMITED (CN) 2024-04-25 US disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 US disclosed
CN-110402249-A Extracellular nucleotides enzyme inhibitor and its application method CALITHERA BIOSCIENCES INC 2019-11-01 CN disclosed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 EP disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 WO disclosed
WO-2016086015-A1 MYOGLOBIN-BASED CATALYSTS FOR CARBENE TRANSFER REACTIONS UNIVERSITY OF ROCHESTER (US) 2016-06-02 WO disclosed
US-20130030170-A1 ENANTIOSELECTIVE CYCLOPROPENATION OF ALKYNES UNIVERSITY OF SOUTH FLORIDA (US) 2013-01-31 US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 US disclosed
US-7144866-B2 Avermectin derivatives THE KITASATO INSTITUTE (JP) 2006-12-05 US disclosed
US-20040018993-A1 Avermectin derivatives KITASATO INSTITUTE,THE (JP) 2004-01-29 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 (10 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-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885CYP2C9 1538/4885
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885CYP2C9 1538/4885
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA ALDH1A1 454/4885TSHR 4532/4885CYP2C9 998/4885
US-20040018993-A1 Avermectin derivatives SUV39H2, SUV39H1, TET1 ALDH1A1 2015/4885TSHR 960/4885CYP2C9 562/4885
US-20130030170-A1 ENANTIOSELECTIVE CYCLOPROPENATION OF ALKYNES CYCS, CBR3, HCCS ALDH1A1 1689/4885TSHR 4072/4885CYP2C9 635/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885CYP2C9 1538/4885
US-12559577-B2 Chemical functionalization of cellulosic materials with diazo compounds ILK, MGAM, LPO ALDH1A1 663/4885TSHR 3397/4885CYP2C9 1417/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885TSHR 2756/4885CYP2C9 1538/4885
US-12168002-B2 Heterocyclic carboxylate compounds as glycolate oxidase inhibitors UGDH, PGD, PNPO ALDH1A1 184/4885TSHR 2776/4885CYP2C9 349/4885
US-20250064787-A1 Heterocyclic Carboxylate Compounds as Glycolate Oxidase Inhibitors GLS, DUOX1, HAO1 ALDH1A1 100/4885TSHR 3830/4885CYP2C9 446/4885

“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.