SCHEMBL7604825

SCHEMBL7604825

COC(=O)c1ccc(OBO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
MAPT P10636 5/20 0.58
TDP1 Q9NUW8 1/20 0.55
CA12 O43570 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
STS P08842 1/20 0.53
TSHR P16473 1/20 0.52
KMT2A Q03164 5/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACR P10323 1/20 0.46
HGFAC Q04756 1/20 0.46

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
SCHEMBL151953 0.86 CA1 (0.67) CA1CA2MAPTTDP1CA12
SCHEMBL23600 0.80 CA1 (0.80) CA1CA2MAPTTDP1CA12
SCHEMBL28993944 0.80 CA1 (0.80) CA1CA2MAPTTDP1CA12
SCHEMBL19846768 0.79 CA1 (0.47) CA1CA2MAPTTDP1CA12
SCHEMBL12142609 0.79 CA1 (0.59) CA1CA2MAPTTDP1CA12
SCHEMBL12565754 0.79 MAPT (0.61) MAPTSTSTSHRKMT2ARAB9A
Methyl 4-Methoxybenzoate SCHEMBL231243 0.79 CA1 (1.00) CA1CA2MAPTTDP1CA12
SCHEMBL69218 0.79 CA1 (0.75) CA1CA2MAPTTDP1CA12
SCHEMBL16141147 0.78 HPGD (0.66) CA1CA2TSHRSMN1; SMN2
SCHEMBL11946638 0.78 SMN1; SMN2 (0.54) MAPTTSHRKMT2ARAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 US disclosed
US-20230194165-A1 RADIOFREQUENCY HEATING OF WOOD USING A THREE-ELECTRODE SYSTEM HAVING A WINGED CENTRAL ELECTRODE RF KILN TECH LIMITED (CA) 2023-06-22 US disclosed
US-11666637-B2 Insulin-loaded metal-organic frameworks NORTHWESTERN UNIVERSITY (US) 2023-06-06 US disclosed
US-9981960-B2 Pyrrolidine compound and application as melanocortin receptor agonist MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-29 US disclosed
US-9931379-B2 Oxyntomodulin analogs and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-04-03 US disclosed
US-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS PHARMACYCLICS LLC (US) 2018-02-08 US disclosed
US-9856241-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-01-02 US disclosed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
US-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-07-13 US disclosed
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
US-20130237411-A1 Novel Strategies, Linkers and Coordination Polymers for High-Performance Sorbents THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2013-09-12 US disclosed
US-20130203656-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2013-07-11 US disclosed
US-20130131344-A1 ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHODS OF MAKING SAME BASF SE (DE) 2013-05-23 US disclosed
US-20130096101-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-04-18 US disclosed
US-20120259117-A1 ORGANO-METALLIC FRAMEWORKS AND METHODS OF MAKING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-10-11 US disclosed
US-20120190669-A1 OXINDOLE COMPOUNDS CYLENE PHARMACEUTICALS, INC. (US) 2012-07-26 US disclosed
US-20120122864-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-17 US disclosed
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-11-24 US disclosed
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE FMR LLC 2011-08-11 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 (15 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-20180037583-A1 PURINONE COMPOUNDS AS KINASE INHIBITORS BTK, LCK, BCL9 CA1 4864/4885CA2 4642/4885MAPT 4542/4885
US-20130178499-A1 Novel Substituted Quinoline Compounds as S-Nitrosoglutathione Reductase Inhibitors GSR, POR, CBR1 CA1 4669/4885CA2 3833/4885MAPT 3800/4885
US-11666637-B2 Insulin-loaded metal-organic frameworks IAPP, IGFBP4, IGFBP1 CA1 1198/4885CA2 516/4885MAPT 2858/4885
US-20130237411-A1 Novel Strategies, Linkers and Coordination Polymers for High-Performance Sorbents ILK, TIMCC, EPCAM CA1 725/4885CA2 656/4885MAPT 637/4885
US-20130096101-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CA1 4881/4885CA2 4788/4885MAPT 3230/4885
US-20120190669-A1 OXINDOLE COMPOUNDS FLT3, PIM1, PIM2 CA1 4741/4885CA2 4368/4885MAPT 2199/4885
US-20170196940-A1 OXYNTOMODULIN ANALOGS AND METHODS OF MAKING AND USING SAME PTMS, OGFRL1, SHBG CA1 1313/4885CA2 2917/4885MAPT 3705/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 CA1 1664/4885CA2 2888/4885MAPT 3282/4885
US-20110288070-A1 METHODS FOR TREATING COGNITIVE DISORDERS USING INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC2 CA1 192/4885CA2 1470/4885MAPT 151/4885
US-20120122864-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CA1 4881/4885CA2 4783/4885MAPT 3250/4885
US-20120259117-A1 ORGANO-METALLIC FRAMEWORKS AND METHODS OF MAKING SAME HNRNPF, EPCAM, YTHDF2 CA1 760/4885CA2 831/4885MAPT 2130/4885
US-20130203656-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 CA1 4881/4885CA2 4783/4885MAPT 3250/4885
US-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R CA1 4467/4885CA2 2159/4885MAPT 3317/4885
US-20130131344-A1 ORGANO-METALLIC FRAMEWORKS DERIVED FROM CARBENOPHILIC METALS AND METHODS OF MAKING SAME CA6, GZMB, PMS2 CA1 209/4885CA2 68/4885MAPT 3648/4885
US-20110196147-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC5, HDAC11 CA1 1149/4885CA2 1841/4885MAPT 2978/4885

“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.