SCHEMBL2038022

SCHEMBL2038022

N#Cc1cc(C(F)(F)F)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.56
XDH P47989 2/20 0.55
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
MAP4K4 O95819 1/20 0.49
SRD5A2 P31213 2/20 0.49
MAPK1 P28482 2/20 0.47
MAP2K4 P45985 2/20 0.47
MAPK6 Q16659 2/20 0.47
MAPKAPK3 Q16644 1/20 0.47
MAPKAPK5 Q8IW41 1/20 0.47
ALOX5AP P20292 1/20 0.46
FEN1 P39748 1/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.45
PTPN5 P54829 1/20 0.45

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
SCHEMBL28571512 0.83 XDH (0.48) XDHMAP4K4SRD5A2
SCHEMBL29788014 0.82 ALOX5AP (0.49) XDHALOX5APFEN1PTGDR2TAS2R14
SCHEMBL22455736 0.82 ALOX5AP (0.49) XDHALOX5APFEN1PTGDR2TAS2R14
SCHEMBL3898071 0.79 ALOX5AP (0.56) XDHMAPK1ALOX5APFEN1PTGDR2
SCHEMBL4651406 0.79 APP (0.64) CYP2C8RXRARXRBRXRGMAP4K4
SCHEMBL23768092 0.79 XDH (0.51) CYP2C8XDHPTPN5
SCHEMBL3748631 0.78 CYP2C8 (0.60) CYP2C8RXRARXRBRXRGMAP4K4
SCHEMBL23226638 0.78 CYP2C8 (0.60) CYP2C8RXRARXRBRXRGMAP4K4
Trifluoroacetic Acid SCHEMBL3107487 0.77 GRM5 (0.49) XDHPTPN5
SCHEMBL23768294 0.77 XDH (0.55) CYP2C8XDHRXRARXRBMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114773249-B Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2024-08-16 CN disclosed
CN-114773249-A Compounds, pharmaceutical compositions and methods for treating inflammatory diseases 艾匹克治疗公司 2022-07-22 CN disclosed
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-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 (9 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-10781171-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CYP2C8 2244/4885XDH 2142/4885RXRA 780/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CYP2C8 2244/4885XDH 2142/4885RXRA 780/4885
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 CYP2C8 1526/4885XDH 1532/4885RXRA 385/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CYP2C8 2244/4885XDH 2142/4885RXRA 780/4885
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 CYP2C8 1526/4885XDH 1532/4885RXRA 385/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CYP2C8 2349/4885XDH 2208/4885RXRA 681/4885
US-20160303075-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES PTGS1, PTGES, PTGER1 CYP2C8 289/4885XDH 281/4885RXRA 907/4885
US-20190300478-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CYP2C8 2338/4885XDH 2287/4885RXRA 791/4885
US-20170283376-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CYP2C8 2244/4885XDH 2142/4885RXRA 780/4885

“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.