SCHEMBL2039468

SCHEMBL2039468

COc1cc(C(=O)O)ccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.62
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA4 P22748 2/20 0.62
CA6 P23280 2/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA14 Q9ULX7 2/20 0.62
TPMT P51580 1/20 0.62
TTR P02766 1/20 0.59
HTT P42858 2/20 0.59
EGFR P00533 2/20 0.57
MKNK1 Q9BUB5 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
TDP1 Q9NUW8 1/20 0.54
TSHR P16473 2/20 0.54
LMNA P02545 3/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
LTB4R Q15722 2/20 0.50

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
SCHEMBL29473817 1.00 CA12 (0.62) CA12CA1CA2CA4CA6
SCHEMBL10296036 0.88 MKNK1 (0.54) CA12CA1CA2CA4CA6
SCHEMBL2773191 0.87 CA1 (0.74) CA12CA1CA2CA4CA6
SCHEMBL28794374 0.87 CYP1A2 (0.60) MKNK1MKNK2TDP1TSHRLMNA
SCHEMBL31222697 0.87 EGFR (0.61) EGFRMKNK1MKNK2TSHRLMNA
SCHEMBL6536178 0.87 SMN1; SMN2 (0.59) CA12CA1CA2CA4CA6
SCHEMBL13066276 0.87 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL2967356 0.87 MKNK1 (0.72) CA12CA1CA2CA4CA6
SCHEMBL2560248 0.87 CA12 (0.59) CA12CA1CA2CA4CA6
SCHEMBL20350806 0.87 MKNK1 (0.52) CA12CA1CA2CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2021-01-28 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-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FORMA THERAPEUTICS, INC. 2020-04-16 US disclosed
EP-3636637-A1 INHIBITING FATTY ACID SYNTHASE (FASN) Forma Therapeutics, Inc. (US) 2020-04-15 EP 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
EP-1805156-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY Bayer Pharmaceuticals Corporation (US) 2007-07-11 EP disclosed
WO-2006044775-A2 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER PHARMACEUTICALS CORPORATION (US) 2006-04-27 WO disclosed
CN-1556788-A Muscarinic agonists 2004-12-22 CN disclosed
EP-1390347-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY Applied Research Systems ARS Holding N.V. (AN) 2004-02-25 EP disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
WO-2002074741-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2002-09-26 WO disclosed
CN-1280561-A Amidocarboxylic acid derivatives SANKYO CO (JP) 2001-01-17 CN disclosed
CN-1040210-C Fused benzazepine derivative and pharmaceutical composition containing the same YAMANOUCHI PHARMA CO LTD (JP) 1998-10-14 CN disclosed
CN-1127508-A Fused benzazepine * derivatives and pharmaceutical compositions thereof YAMANOUCHI PHARMA CO LTD (JP) 1996-07-24 CN 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 CA12 4883/4885CA1 4881/4885CA2 4174/4885
US-20200347016-A1 SUBSTITUTED PYRROLIDINES AS G-PROTEIN COUPLED RECEPTOR 43 AGONISTS GPR119, GPR52, GPR88 CA12 4883/4885CA1 4881/4885CA2 4174/4885
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 CA12 4132/4885CA1 4142/4885CA2 2039/4885
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 CA12 3951/4885CA1 1987/4885CA2 2179/4885
US-20210024508-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 CA12 4793/4885CA1 4278/4885CA2 3915/4885
US-11072582-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CA12 4883/4885CA1 4881/4885CA2 4174/4885
US-20200115368-A1 INHIBITING FATTY ACID SYNTHASE (FASN) FASN, SCD, FADS1 CA12 4793/4885CA1 4278/4885CA2 3915/4885
US-10577318-B2 Substituted pyrrolidines as G-protein coupled receptor 43 agonists GPR119, GPR52, GPR88 CA12 4885/4885CA1 4881/4885CA2 4303/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS CA12 3500/4885CA1 838/4885CA2 1980/4885

“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.