SCHEMBL79980

SCHEMBL79980

OBOc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
ESR1 P03372 2/20 0.52
LMNA P02545 3/20 0.44
HIF1A Q16665 2/20 0.44
TYR P14679 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CA12 O43570 1/20 0.44
GMNN O75496 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL14477632 0.88 MEN1 (0.33) ESR2MEN1KMT2AESR1CA12
SCHEMBL67321 0.80 ESR2 (0.55) ESR2MEN1KMT2AESR1LMNA
SCHEMBL19844990 0.79 CYP1A2 (0.48) ESR2MEN1KMT2AESR1HIF1A
SCHEMBL819814 0.76 CA1 (0.58) ESR2KDM4ENPC1CA12ALDH1A1
SCHEMBL5148477 0.76 ALDH1A1 (0.50) MEN1KMT2AHIF1ANPC1ALDH1A1
SCHEMBL18670944 0.76 NFE2L2 (0.37) LMNAALDH1A1CA1CA2CA9
SCHEMBL2602434 0.76 ACHE (0.48) MEN1KMT2ALMNAALDH1A1CA1
SCHEMBL819491 0.76 CYP2A6 (0.42) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL121643 0.76 NFE2L2 (0.37) LMNAALDH1A1CA1CA2CA9
SCHEMBL626870 0.76 LMNA (0.42) MEN1KMT2ALMNAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2024-07-16 US disclosed
US-12024536-B2 C-terminal HSP90 inhibitors UNIVERSITY OF KANSAS (US) 2024-07-02 US disclosed
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION NOVARTIS AG (CH) 2023-12-14 US disclosed
CN-112585147-B MAP4K4 inhibitors 帝国理工学院创新有限公司 2023-12-05 CN disclosed
CN-115974828-A Compound as protein phosphatase 5 agonist and preparation method and application thereof 中国药科大学 2023-04-18 CN disclosed
CN-113166101-A Cyclic pentameric compounds as proprotein convertase subtilisin/kexin type 9 (PCSK9) inhibitors for the treatment of metabolic disorders 诺华股份有限公司 2021-07-23 CN disclosed
CN-110023286-B Biphenyl compounds as CCR2/CCR5 receptor antagonists 南京明德新药研发有限公司 2021-06-01 CN disclosed
US-10030041-B2 C-terminal Hsp90 inhibitors UNIVERSITY OF KANSAS (US) 2018-07-24 US disclosed
US-10005768-B2 Carboxamide derivatives and use thereof PURDUE PHARMA L.P. (US) 2018-06-26 US disclosed
US-9919995-B2 Photoactivatable caged compounds with AIE characteristics: method of preparation and applications Tang, Benzhong (CN) 2018-03-20 US disclosed
US-20150057240-A1 C-TERMINAL HSP90 INHIBITORS REATA PHARMACEUTICALS, INC. 2015-02-26 US disclosed
US-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2014-02-27 US disclosed
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. (US) 2013-09-26 US disclosed
US-8367836-B2 Pyridinone antagonists of alpha-4 integrins ELAN PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8362018-B2 Substituted imidazo[1,2-a]pyrazine compounds useful for the treatment of viral infections BIOFOCUS DPI, LTD. (GB) 2013-01-29 US disclosed
US-8129538-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-06 US disclosed
US-20110166147-A1 IMIDAZOPYRAZINE COMPOUNDS BIOFOCUS DPI, LTD. (GB) 2011-07-07 US disclosed
US-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MEMPILE INC. (US) 2011-06-09 US disclosed
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-03-03 US disclosed
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ELAN PHARMACEUTICALS, INC. 2011-01-13 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 (12 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-20140058106-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 ESR2 3546/4885MEN1 405/4885KMT2A 1616/4885
US-20110137064-A1 METHACRYLATE-BOUND PHOTOISOMERIZABLE CHROMOPHORE, METHODS FOR ITS SYNTHESIS MMAB, TET3, KDM2B ESR2 3553/4885MEN1 457/4885KMT2A 128/4885
US-20130252957-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 ESR2 2856/4885MEN1 3731/4885KMT2A 2877/4885
US-10005768-B2 Carboxamide derivatives and use thereof TRPV1, CACNA1A, SCN10A ESR2 3164/4885MEN1 3470/4885KMT2A 1142/4885
US-20110009407-A1 PYRIDINONE ANTAGONISTS OF ALPHA-4 INTEGRINS ITGA4, ITGB4, ITGB5 ESR2 2856/4885MEN1 3731/4885KMT2A 2877/4885
US-20110166147-A1 IMIDAZOPYRAZINE COMPOUNDS CYP3A5, HAVCR2, CYP3A43 ESR2 3464/4885MEN1 4643/4885KMT2A 3585/4885
US-10030041-B2 C-terminal Hsp90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 ESR2 2921/4885MEN1 4746/4885KMT2A 4626/4885
US-20150057240-A1 C-TERMINAL HSP90 INHIBITORS HSP90AB2P, HSP90AB1, HSP90B1 ESR2 2921/4885MEN1 4746/4885KMT2A 4626/4885
US-12024536-B2 C-terminal HSP90 inhibitors HSP90AB2P, HSP90AB1, HSP90B1 ESR2 2921/4885MEN1 4746/4885KMT2A 4626/4885
US-20110054175-A1 SYSTEM FOR FLUORINATING ORGANIC COMPOUNDS PFAS, ODC1, AOC1 ESR2 3546/4885MEN1 405/4885KMT2A 1616/4885
US-12037328-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of G protein-coupled receptor 119 GPR119, GPR3, GPR39 ESR2 118/4885MEN1 4713/4885KMT2A 3078/4885
US-20230398224-A1 TARGETED PLASMA PROTEIN DEGRADATION M6PR, ASGR1, IGF2R ESR2 2586/4885MEN1 1297/4885KMT2A 2277/4885

“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.