SCHEMBL878699

SCHEMBL878699

CCCCOC(=O)c1cccc(B(O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
CYP1A2 P05177 3/20 0.53
CYP2C19 P33261 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CYP2C9 P11712 2/20 0.53
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
ESR1 P03372 8/20 0.53
LMNA P02545 4/20 0.53
TSHR P16473 3/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
NR1H2 P55055 1/20 0.53
RNASEL Q05823 1/20 0.53
TDP1 Q9NUW8 1/20 0.51
CYP3A4 P08684 1/20 0.51
PDE4D Q08499 1/20 0.51
LPL P06858 1/20 0.48
LIPG Q9Y5X9 1/20 0.48

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
SCHEMBL29953905 1.00 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL5568364 0.96 LMNA (0.53) NPC1RAB9AESR1LMNATSHR
SCHEMBL29950841 0.91 LMNA (0.60) SMN1; SMN2HPGDESR1LMNATSHR
SCHEMBL111861 0.86 L3MBTL1 (0.64) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL361141 0.84 CYP4F2 (0.54) CYP1A2CYP2C19SMN1; SMN2CYP2C9NPC1
SCHEMBL7189257 0.84 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
Lithium SCHEMBL30876327 0.84 L3MBTL1 (0.62) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL6057202 0.83 LMNA (0.66) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9
SCHEMBL4214601 0.82 SERPINE1 (0.43) SMN1; SMN2LMNATSHRTDP1
SCHEMBL8759408 0.82 L3MBTL1 (0.56) L3MBTL1CYP1A2CYP2C19SMN1; SMN2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-23 US disclosed
EP-3683218-A1 SOLID FORMS OF 3-(6-(1-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL) CYCLOPROPANECARBOXAMIDO)-3-METHYLPYRIDIN-2-YL) BENZOIC ACID Vertex Pharmaceuticals Incorporated (US) 2020-07-22 EP disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF SHIONOGI & CO., LTD. (JP) 2016-07-07 US disclosed
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2016-06-23 US disclosed
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2015-10-15 US disclosed
US-8653103-B2 Solid forms of 3-(6-(1-(2,2-difluorobenzo[D][1,3]dioxol-5-yl) cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoic acid VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-18 US disclosed
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2013-10-03 US disclosed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8415469-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-04-09 US disclosed
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2012-03-01 US disclosed
WO-2011133953-A1 PHARMACEUTICAL COMPOSITIONS AND ADMINISTRATIONS THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-10-27 WO disclosed
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2011-03-10 US disclosed
US-7863288-B2 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON, INC. (US) 2011-01-04 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
US-7183267-B2 β-lactamase inhibitors and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2007-02-27 US disclosed
WO-2007002325-A1 PYRROLO[2,3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 WO disclosed
WO-2007002433-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON, INC. (US) 2007-01-04 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 (9 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 L3MBTL1 2040/4885CYP1A2 4774/4885CYP2C19 4868/4885
US-20120053177-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 L3MBTL1 794/4885CYP1A2 4730/4885CYP2C19 4579/4885
US-20110059963-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 L3MBTL1 794/4885CYP1A2 4730/4885CYP2C19 4579/4885
US-20130261117-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 L3MBTL1 794/4885CYP1A2 4730/4885CYP2C19 4579/4885
US-20150290205-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 L3MBTL1 794/4885CYP1A2 4730/4885CYP2C19 4579/4885
US-20160194290-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI L3MBTL1 4726/4885CYP1A2 99/4885CYP2C19 17/4885
US-20160176865-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 L3MBTL1 794/4885CYP1A2 4730/4885CYP2C19 4579/4885
US-20230373932-A1 DIHYDROPYRIMIDIN-2-ONE COMPOUNDS AND MEDICAL USE THEREOF REN, PKD2, ALPI L3MBTL1 4726/4885CYP1A2 99/4885CYP2C19 17/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 L3MBTL1 794/4885CYP1A2 4730/4885CYP2C19 4579/4885

“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.