SCHEMBL1706450

SCHEMBL1706450

CN(C)C(=O)c1cccc(N)c1O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.60
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CXCR2 P25025 14/20 0.46
KEAP1 Q14145 1/20 0.45
CCR6 P51684 1/20 0.44
CXCR1 P25024 3/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CFTR P13569 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL28089446 0.85 MMP2 (0.56) MMP2KMT2ASMN1; SMN2CXCR2CCR6
SCHEMBL8082335 0.82 MEN1 (0.47) MMP2MEN1KMT2ASMN1; SMN2CXCR2
SCHEMBL12261019 0.82 MMP2 (0.53) MMP2SMN1; SMN2GAAMAPTALDH1A1
SCHEMBL12260767 0.82 MMP2 (0.53) MMP2MEN1KMT2ASMN1; SMN2CXCR2
SCHEMBL16144436 0.82 MMP2 (0.53) MMP2KMT2ACXCR2KEAP1CXCR1
SCHEMBL12260953 0.82 MMP2 (0.49) MMP2KMT2ACXCR2CXCR1GAA
SCHEMBL30598338 0.82 SMN1; SMN2 (0.55) MMP2MEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL538290 0.82 SMN1; SMN2 (0.55) MMP2MEN1KMT2ASMN1; SMN2KEAP1
SCHEMBL720049 0.81 MMP2 (0.72) MMP2KMT2AGAAMAPTALDH1A1
SCHEMBL15069131 0.81 MEN1 (0.46) MEN1KMT2ASMN1; SMN2CXCR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8519168-B2 Process and intermediates for the synthesis of 1,2-substituted 3,4-dioxo-1-cyclobutene compounds MERCK SHARP & DOHME CORP. (US) 2013-08-27 US claimed
US-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS MERCK SHARP & DOHME LLC 2011-06-30 US claimed
EP-2178826-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2010-04-28 EP claimed
WO-2009005801-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS SCHERING CORPORATION (US) 2009-01-08 WO claimed
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2024-12-05 US disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
EP-3668832-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF Allergan, Inc. (US) 2020-06-24 EP disclosed
WO-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 WO disclosed
WO-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 WO disclosed
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2019-02-14 US disclosed
US-20070004682-A1 Di-substituted oxadiazoles as CXC-chemokine receptor ligands SCHERING CORPORATION 2007-01-04 US disclosed
US-20060223864-A1 Thiadiazoles AS CXC- and CC- chemokine receptor ligands SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2006-10-05 US disclosed
EP-1694659-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2006-08-30 EP disclosed
WO-2005066147-A1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2005-07-21 WO disclosed
EP-1551818-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS Pharmacopeia Drug Discovery, Inc. (US) 2005-07-13 EP disclosed
US-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands SCHERING CORPORATION PHARMACOPEIA, INC. 2004-09-23 US disclosed
WO-2004033440-A1 THIADIAZOLEDIOXIDES AND THIADIAZOLEOXIDES AS CXC- AND CC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORPORATION (US) 2004-04-22 WO disclosed
US-4461827-A Color photographic recording material containing a non-diffusible dye releaser from which a complexible azo dye is released during development AGFA-GEVAERT AKTIENGESELLSCHAFT (DE) 1984-07-24 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 (8 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-20110160469-A1 PROCESS AND INTERMEDIATES FOR THE SYNTHESIS OF 1,2-SUBSTITUTED 3,4-DIOXO-1-CYCLOBUTENE COMPOUNDS CCL2, CCR1, CXCR1 MMP2 2261/4885MEN1 2745/4885KMT2A 4808/4885
US-20060223864-A1 Thiadiazoles AS CXC- and CC- chemokine receptor ligands CCR2, ACKR3, CX3CR1 MMP2 1170/4885MEN1 4674/4885KMT2A 4785/4885
US-20040186142-A1 Thiadiazoledioxides and thiadiazoleoxides as CXC- and CC- chemokine receptor ligands CXCR1, CCR2, CX3CR1 MMP2 1257/4885MEN1 4704/4885KMT2A 4824/4885
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MMP2 4526/4885MEN1 674/4885KMT2A 4316/4885
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB MMP2 4526/4885MEN1 674/4885KMT2A 4316/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MMP2 4526/4885MEN1 674/4885KMT2A 4316/4885
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MMP2 4526/4885MEN1 674/4885KMT2A 4316/4885
US-20070004682-A1 Di-substituted oxadiazoles as CXC-chemokine receptor ligands CXCR3, CXCR1, CXCR2 MMP2 1346/4885MEN1 4818/4885KMT2A 4870/4885

“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.