SCHEMBL5986989

SCHEMBL5986989

CC(=O)OC(C)OC(=O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
TBXA2R P21731 1/20 0.38
PGR P06401 1/20 0.37
PTGS1 P23219 1/20 0.37
PDE4A P27815 1/20 0.37
GALR3 O60755 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
ALOX15 P16050 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL5987010 1.00 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7601923 1.00 TSHR (0.50) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL13647266 0.89 TSHR (0.38) TSHRSMN1; SMN2ELANE
Ammonia Solution, Strong SCHEMBL31304789 0.86 TSHR (0.36) TSHRSMN1; SMN2ELANE
SCHEMBL987906 0.86 TSHR (0.65) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL7603123 0.82 TSHR (0.48) TSHRCHRM2CHRM4CHRM1TBXA2R
Acetic Acid SCHEMBL11076307 0.80 TSHR (0.58) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL980018 0.80 TSHR (0.35) TSHR
SCHEMBL979013 0.80 TSHR (0.35) TSHR
SCHEMBL15047801 0.80 TSHR (0.46) TSHRCHRM2CHRM4CHRM1TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
WO-2023134465-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR, INTERMEDIATE THEREOF AND USE THEREOF 上海艾力斯医药科技股份有限公司 2023-07-20 WO disclosed
US-11702431-B2 Oxo-substituted compound Sumitomo Pharma Co., Ltd. (JP) 2023-07-18 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-20170035714-A1 Oral Dosage forms having a High Loading of a Gabapentin Prodrug ARBOR PHARMACEUTICALS, LLC 2017-02-09 US disclosed
US-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-12-15 US disclosed
US-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-12-15 US disclosed
US-9428483-B2 Prodrug of fluorine-containing amino acid TAISHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-30 US disclosed
US-9394312-B1 Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-07-19 US disclosed
US-9394312-B1 Ibrutinib prodrugs, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2016-07-19 US disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110184060-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A TRANEXAMIC ACID PRODRUG XENOPORT, INC. 2011-07-28 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110060040-A1 USES OF ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID XENOPORT, INC. 2011-03-10 US disclosed
WO-2010150840-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE 大日本住友製薬株式会社 (JP) 2010-12-29 WO disclosed
US-20100226981-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG XENOPORT, INC. (US) 2010-09-09 US disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
US-20080161393-A1 Use of prodrugs of GABA analogs for treating disease XENOPORT, INC. 2008-07-03 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-11702431-B2 Oxo-substituted compound CYP51A1, OXA1L, O60361 TSHR 4401/4885CHRM2 4346/4885CHRM4 4613/4885
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD TSHR 2757/4885CHRM2 4873/4885CHRM4 4711/4885
US-20110060040-A1 USES OF ACYLOXYALKYL CARBAMATE PRODRUGS OF TRANEXAMIC ACID PIGS, CPS1, ACMSD TSHR 1580/4885CHRM2 3957/4885CHRM4 3859/4885
US-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 TSHR 451/4885CHRM2 299/4885CHRM4 942/4885
US-20100226981-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A GABAPENTIN PRODRUG GABRE, GABRP, GABRG1 TSHR 3881/4885CHRM2 1208/4885CHRM4 1465/4885
US-20080161393-A1 Use of prodrugs of GABA analogs for treating disease GABRB1, GABBR1, GABRB3 TSHR 3344/4885CHRM2 920/4885CHRM4 1743/4885
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD TSHR 2757/4885CHRM2 4873/4885CHRM4 4711/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 TSHR 483/4885CHRM2 206/4885CHRM4 664/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 TSHR 1934/4885CHRM2 859/4885CHRM4 1149/4885
US-20170035714-A1 Oral Dosage forms having a High Loading of a Gabapentin Prodrug GABRE, GABRP, GABRG1 TSHR 3881/4885CHRM2 1208/4885CHRM4 1465/4885
US-20110184060-A1 ORAL DOSAGE FORMS HAVING A HIGH LOADING OF A TRANEXAMIC ACID PRODRUG F2, PROC, PLAT TSHR 3018/4885CHRM2 4705/4885CHRM4 4821/4885
US-20160361315-A1 IBRUTINIB PRODRUGS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE BTK, SYK, BCL9 TSHR 3366/4885CHRM2 4812/4885CHRM4 4851/4885

“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.