SCHEMBL1100758

SCHEMBL1100758

CCCC(O[C]=O)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.39
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL1100608 0.84 ALDH1A1 (0.36) SMN1; SMN2CHRM1AKR1A1CHRM3HTR2A
SCHEMBL1070843 0.82 HDAC1 (0.34) HDAC7HDAC8HDAC6HDAC9HDAC5
SCHEMBL9602250 0.81 TSHR (0.36) CA1CA2TSHR
SCHEMBL1788899 0.81 LMNA (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL198657 0.79 CTSK (0.37) CA1CA2
SCHEMBL6155074 0.79 TSHR (0.36) SMN1; SMN2TSHR
SCHEMBL9054275 0.79 ALDH1A1 (0.44) CA1CA2SMN1; SMN2TDP1TSHR
SCHEMBL1100343 0.79 CHRM1 (0.44) CA2HDAC7HDAC8HDAC6HDAC9
SCHEMBL4431247 0.79 CA1 (0.47) CA1CA2ZDHHC7HDAC7HDAC8
SCHEMBL9586962 0.78 NAAA (0.43) CA1CA2CYP3A4TSHRNPSR1

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-8957070-B2 Glucokinase activator compounds, methods of activating glucokinase and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-1916234-B1 CYCLOPROPANECARBOXYLIC ACID COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-11-12 EP disclosed
EP-1873144-B1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2014-07-23 EP disclosed
US-8492405-B2 Glucokinase-activating fused heterocyclic compounds and methods of treating diabetes and obesity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-23 US disclosed
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 EP disclosed
US-8153694-B2 Cyclopropanecarboxylic acid compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-10 US disclosed
EP-2308839-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-04-13 EP disclosed
EP-2298772-A1 Fused heterocyclic compounds Takeda Pharmaceutical Company Limited (JP) 2011-03-23 EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 US disclosed
EP-1916234-A1 CYCLOPROPANECARBOXYLIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-30 EP disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 US disclosed
EP-1911738-A1 PHENOXYALKANOIC ACID COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1873144-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-01-02 EP disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 EP disclosed
EP-1845081-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 US disclosed
EP-1678138-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV Takeda Pharmaceutical Company Limited (JP) 2006-07-12 EP disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 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 (2 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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD CA1 1583/4885CA2 934/4885ZDHHC7 1367/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK CA1 2481/4885CA2 861/4885ZDHHC7 1205/4885

“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.