SCHEMBL2040977

SCHEMBL2040977

COC(=O)c1ccc(B(O)O)cc1.[Ar]

nearest known ligand 0.96

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA12 O43570 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA14 Q9ULX7 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TSHR P16473 1/20 0.54
MAPT P10636 4/20 0.52
ALDH1A1 P00352 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ENPP2 Q13822 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47

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
SCHEMBL140644 0.98 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL6605832 0.92 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL257872 0.89 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL23493574 0.87 RAB9A (0.67) CA1CA2CA12CA7CA9
SCHEMBL23493572 0.87 RAB9A (0.67) CA1CA2CA12CA7CA9
SCHEMBL28095252 0.86 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL18713906 0.83 CA1 (0.57) CA1CA2CA12CA7CA9
Phenylboronic Acid SCHEMBL29109684 0.82 EGFR (0.59) CA1CA2CA12CA9CA14
SCHEMBL28993944 0.82 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL23600 0.82 CA1 (0.80) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2021-07-27 US disclosed
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2020-11-05 US disclosed
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-09-22 US disclosed
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EPICS THERAPEUTICS (BE) 2020-05-14 US disclosed
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2020-03-03 US disclosed
EP-3610872-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2020-02-19 EP disclosed
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2019-10-03 US disclosed
EP-3074008-B1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATION EPICS THERAPEUTICS (BE) 2019-09-04 EP disclosed
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists EPICS THERAPEUTICS (BE) 2019-07-23 US disclosed
US-20180297944-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2018-10-18 US disclosed
US-20170283376-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS EPICS THERAPEUTICS (BE) 2017-10-05 US disclosed
EP-2513053-B1 Pyrrolidine carboxylic acid derivatives as agonists of G-protein coupled receptor 43 (GPR43), pharmaceutical composition and methods for use in treating metabolic disorders OGEDA SA (BE) 2017-10-04 EP disclosed
US-9770435-B2 Compounds, pharmaceutical composition and methods for use in treating inflammatory diseases OGEDA SA (BE) 2017-09-26 US disclosed
US-9695120-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists OGEDA SA (BE) 2017-07-04 US disclosed
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EPICS THERAPEUTICS (BE) 2016-10-20 US disclosed
EP-3074008-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES Euroscreen S.A. (BE) 2016-10-05 EP disclosed
WO-2015078949-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN SA (BE) 2015-06-04 WO disclosed
US-20130023539-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
EP-2513053-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) Euroscreen S.A. (BE) 2012-10-24 EP disclosed
WO-2011073376-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERSAS AS AGONISTS OF G- PROTEIN COUPLED RECEPTOR 43 (GPR43) EUROSCREEN S.A. (BE) 2011-06-23 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 (11 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-20180297944-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CA1 4881/4885CA2 4174/4885CA12 4883/4885
US-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CA1 4881/4885CA2 4174/4885CA12 4883/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CA1 4881/4885CA2 4174/4885CA12 4883/4885
US-20200148636-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 CA1 4142/4885CA2 2039/4885CA12 4132/4885
US-10358416-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GIPR, GPR88, GPR119 CA1 2877/4885CA2 747/4885CA12 3942/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CA1 4881/4885CA2 4174/4885CA12 4883/4885
US-20130023539-A1 PYRROLIDINE OR THIAZOLIDINE CARBOXYLIC ACID DERIVATIVES, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS AS AGONISTS OF G-PROTEIN COUPLED RECEPTOR 43 (GPR43) GPR119, GPR65, GPR84 CA1 4142/4885CA2 2039/4885CA12 4132/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CA1 4881/4885CA2 4303/4885CA12 4885/4885
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES PTGS1, PTGES, PTGER1 CA1 2979/4885CA2 2914/4885CA12 1437/4885
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CA1 4882/4885CA2 4275/4885CA12 4883/4885
US-20170283376-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CA1 4881/4885CA2 4174/4885CA12 4883/4885

“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.