SCHEMBL1706516

SCHEMBL1706516

CCN(CC)C(=O)c1cccc(N)c1O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.55
KEAP1 Q14145 1/20 0.49
KDM4E B2RXH2 2/20 0.46
HPGD P15428 4/20 0.45
ALDH1A1 P00352 4/20 0.45
TP53 P04637 1/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.43
HSP90AA1 P07900 3/20 0.43
HSP90AB1 P08238 3/20 0.43
MAPK1 P28482 1/20 0.43
CCR6 P51684 1/20 0.41
MAPT P10636 1/20 0.41
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL12260992 0.89 MMP2 (0.47) MMP2KEAP1KDM4EHPGDALDH1A1
SCHEMBL16144436 0.85 MMP2 (0.53) MMP2KEAP1KDM4EHPGDALDH1A1
SCHEMBL6371982 0.84 KDM4E (0.64) KEAP1KDM4EHPGDALDH1A1TP53
SCHEMBL12261000 0.81 MMP2 (0.53) MMP2KDM4EHPGDALDH1A1TP53
SCHEMBL2941369 0.81 HPGD (0.56) KEAP1KDM4EHPGDALDH1A1TP53
SCHEMBL1706450 0.80 MMP2 (0.60) MMP2KEAP1ALDH1A1HSD17B10CCR6
SCHEMBL3309142 0.79 ALB (0.55) KEAP1HPGDALDH1A1TP53TDP1
SCHEMBL3312574 0.79 KEAP1 (0.49) KEAP1HPGDALDH1A1TP53TDP1
SCHEMBL12261033 0.79 MMP2 (0.50) MMP2KDM4EHPGDALDH1A1TP53
SCHEMBL29478348 0.78 TSHR (0.62) KEAP1KDM4EHPGDALDH1A1TP53

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2019-02-14 US disclosed
US-8183281-B2 CXC-chemokine receptor ligands NOVARTIS AG (CH) 2012-05-22 US disclosed
EP-2155670-B1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2012-04-18 EP disclosed
US-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS NOVARTIS AG (CH) 2010-05-20 US disclosed
EP-2155670-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148790-A1 ANTI -INFLAMMATORY SUBSTITUTED CYCLOBUTENEDIONE COMPOUNDS NOVARTIS AG (CH) 2008-12-11 WO 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 (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-20100125071-A1 CXC-CHEMOKINE RECEPTOR LIGANDS CXCR2, CXCR1, CX3CR1 MMP2 932/4885KEAP1 1025/4885KDM4E 4653/4885
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MMP2 4526/4885KEAP1 287/4885KDM4E 2677/4885
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB MMP2 4526/4885KEAP1 287/4885KDM4E 2677/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MMP2 4526/4885KEAP1 287/4885KDM4E 2677/4885
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB MMP2 4526/4885KEAP1 287/4885KDM4E 2677/4885

“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.