SCHEMBL312854

SCHEMBL312854

CC[CH]OC(=O)OCCC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 3/20 0.37
PKM P14618 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
PPARG P37231 1/20 0.33
ALOX15 P16050 1/20 0.33
CHRNB2 P17787 3/20 0.32
CHRNA4 P43681 3/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 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
SCHEMBL8694241 0.85 CA12 (0.36) CA12CA1CA2CA9TDP1
SCHEMBL451856 0.80 TSHR (0.45) TDP1LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL697642 0.80 CA1 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL452372 0.79 HCAR2 (0.42) TDP1LMNAALDH1A1KDM4ETSHR
SCHEMBL610682 0.79 CA1 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL17075163 0.79 CA1 (0.50) CA12CA1CA2CA9TDP1
SCHEMBL451520 0.76 ATM (0.52) TDP1MAPK1LMNAALDH1A1SMN1; SMN2
SCHEMBL5511449 0.75 ALDH1A1 (0.59) CA12CA1CA2CA9TDP1
SCHEMBL5009623 0.75 CA12 (0.43) CA12CA1CA2CA9TDP1
SCHEMBL14311948 0.74 CA1 (0.46) CA12CA1CA2CA9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4731362-A Alkylcarbamoyloxymethylcephem compounds SHIONOGI & CO., LTD. (JP) 1988-03-15 US claimed
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-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 (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-20160317505-A1 NOVEL MODIFIED RELEASE DOSAGE FORMS OF XANTHINE OXIDOREDUCTASE INHIBITOR OR XANTHINE OXIDASE INHIBITORS XDH, PNPO, DUOX1 CA12 4113/4885CA1 3440/4885CA2 1817/4885
US-20140329868-A1 METHODS FOR TREATING HYPERTENSION XDH, REN, CYP11B2 CA12 1619/4885CA1 1237/4885CA2 127/4885

“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.