SCHEMBL312855

SCHEMBL312855

[CH2]CCOC(=O)OCCC(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP19A1 P11511 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.35
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
TSHR P16473 2/20 0.33

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
SCHEMBL17075163 0.89 CA1 (0.50) CA1CA12CA2CA9TDP1
SCHEMBL610682 0.89 CA1 (0.50) CA1CA12CA2CA9TDP1
SCHEMBL9035652 0.88 CA1 (0.39) CA1CA12CA2CA9TDP1
SCHEMBL697643 0.87 CA1 (0.42) CA1CA12CA2CA9TDP1
Bicarbonate SCHEMBL28723134 0.84 CA1 (0.46) CA1CA12CA2CA9TDP1
SCHEMBL1559410 0.83 TSHR (0.47) TDP1MAPK1HSD17B10ALDH1A1KDM4E
SCHEMBL305152 0.80 CA1 (0.43) CA1CA12CA2CA9TDP1
SCHEMBL13301164 0.80 TSHR (0.43) CA1CA12CA2CA9TDP1
SCHEMBL5511449 0.80 ALDH1A1 (0.59) CA1CA12CA2CA9TDP1
SCHEMBL5009623 0.80 CA12 (0.43) CA1CA12CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937157-B2 Modified release dosage forms of xanthine oxidoreductase inhibitor or xanthine oxidase inhibitors TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2018-04-10 US disclosed
EP-2582812-B1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS TAKEDA PHARMACEUTICALS USA INC (US) 2018-01-24 EP disclosed
US-20160317505-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2016-11-03 US disclosed
US-9248119-B2 Modified release dosage forms of xanthine oxidoreductase inhibitor or xanthine oxidase inhibitors TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2016-02-02 US disclosed
US-9107912-B2 Methods for concomitant treatment of theophylline and febuxostat TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2015-08-18 US disclosed
EP-2613780-B1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT TAKEDA PHARMACEUTICALS USA INC (US) 2014-11-12 EP disclosed
US-20140329868-A1 METHODS FOR TREATING HYPERTENSION TAKEDA PHARMACEUTICALS USA INC (US) 2014-11-06 US disclosed
US-8586762-B2 Process for producing fused imidazole compound, reformatsky reagent in stable form, and process for producing the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
EP-2613780-A1 METHODS FOR CONCOMITANT TREATMENT OF THEOPHYLLINE AND FEBUXOSTAT Takeda Pharmaceuticals U.S.A., Inc. (US) 2013-07-17 EP disclosed
US-20130143886-A1 METHODS FOR PRESERVING AND/OR INCREASING RENAL FUNCTION USING XANTHINE OXIDOREDUCTASE INHIBITORS TAKEDA PHARMACEUTICALS U.S.A., INC. (US) 2013-06-06 US disclosed
US-5084214-A Compounds for the treatment of artheriosclerosis SHIONOGI & CO., LTD. (JP) 1992-01-28 US disclosed
EP-0467647-A2 Thioalkylthio cephalosporin derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1992-01-22 EP disclosed
US-5064954-A Phosphorylation of hydroxymethylcarbapem and halogenation; bactericides SHIONOGI & CO., LTD. (JP) 1991-11-12 US disclosed
US-5002972-A Compound and composition of substituted hexenoic acid derivatives useful for treating thromboxane A2 mediated diseases SHIONOGI & CO., LTD. (JP) 1991-03-26 US disclosed
EP-0415566-A1 Heterocyclic compounds, processes for producing them and pharmaceutical compositions comprising them SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-03-06 EP disclosed
US-4960880-A STEREOSPECIFIC SYNTHESIS OF B-LACTAM INTERMEDIATES SHIONOGI & CO., LTD. (JP) 1990-10-02 US disclosed
EP-0384747-A1 Pharmaceutical or veterinary preparations of substituted hexenoic acid derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1990-08-29 EP disclosed
EP-0348203-A1 Phenolic thioethers, their production and use SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-12-27 EP disclosed
EP-0308867-A2 Alkenylsilylazetidinone intermediates for carbapenems SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1989-03-29 EP disclosed
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 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 (3 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-20160317505-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS XDH, PNPO, DUOX1 CA1 3440/4885CA12 4113/4885CA2 1817/4885
US-20140329868-A1 METHODS FOR TREATING HYPERTENSION XDH, REN, CYP11B2 CA1 1237/4885CA12 1619/4885CA2 127/4885
US-20130143886-A1 METHODS FOR PRESERVING AND/OR INCREASING RENAL FUNCTION USING XANTHINE OXIDOREDUCTASE INHIBITORS XDH, GLS, REN CA1 834/4885CA12 1628/4885CA2 423/4885

“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.