SCHEMBL1684669

SCHEMBL1684669

CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 8/20 0.53
LPL P06858 7/20 0.53
F11 P03951 3/20 0.50
F2 P00734 2/20 0.48
PRSS1 P07477 2/20 0.48
PRSS2 P07478 2/20 0.48
PRSS3 P35030 2/20 0.48
P4HB P07237 1/20 0.45
CA9 Q16790 5/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
ESR2 Q92731 1/20 0.43
CA12 O43570 2/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
SCHEMBL14659461 0.89 LIPG (0.51) LIPGLPLF11F2PRSS1
SCHEMBL28933128 0.86 NPC1 (0.51) LIPGLPLF11F2PRSS1
SCHEMBL4604189 0.84 LIPG (0.52) LIPGLPLP4HBCA9CA12
SCHEMBL1290119 0.83 LIPG (0.51) LIPGLPLF11F2PRSS1
SCHEMBL12170334 0.82 AAK1 (0.45) LIPGLPLF11F2PRSS1
SCHEMBL1906044 0.82 CHRNB2 (0.45) LIPGLPLF11F2PRSS1
SCHEMBL520826 0.82 LPL (0.61) LIPGLPLF11CA9CA1
SCHEMBL19743463 0.81 HIF1A (0.43) LIPGLPLF11F2PRSS1
SCHEMBL14659453 0.81 LIPG (0.53) LIPGLPLF11F2PRSS1
SCHEMBL18319652 0.80 LIPG (0.39) LIPGLPLF11F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4026832-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Almac Discovery Limited (GB) 2022-07-13 EP disclosed
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-05-19 US disclosed
US-11084804-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-08-10 US disclosed
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-01-28 US disclosed
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 ALMAC DISCOVERY LIMITED (GB) 2020-09-08 US disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 EP disclosed
US-10626111-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-04-21 US disclosed
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-10-24 US disclosed
EP-3529241-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 Almac Discovery Limited (GB) 2019-08-28 EP disclosed
US-20190256518-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 GENETECH, INC. 2019-08-22 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-19 US disclosed
US-7741321-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-22 US disclosed
US-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 US disclosed
US-7659268-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-02-09 US disclosed
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
EP-1945632-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2008-07-23 EP disclosed
US-20080113985-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-05-15 US disclosed
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis VERTEX PHARMACEUTICALS INCORPORATED 2008-01-24 US disclosed
WO-2007056341-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-05-18 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 (13 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-20100087435-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-20190322650-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-20190256518-A1 PIPERIDINE DERIVATIVES AS INHIBITORS OF UBIQUITIN SPECIFIC PROTEASE 7 USP7, USP5, UBA7 LIPG 2600/4885LPL 2569/4885F11 4794/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 LIPG 2698/4885LPL 2450/4885F11 818/4885
US-20080019915-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"); N[6-(2-hydroxymethylphenyl-1yl)-5-methylpyrimidine][(4-methoxophenyl-1-yl)cyclopopyl]-amide; genetic disorders; respiratory system disorders, cystic fibrosis, hereditary emphysema and hemochromatosis, coagulation-fibrinolysis CFTR, ABCC8, ABCB1 LIPG 2352/4885LPL 2155/4885F11 49/4885
US-20210024505-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-11084804-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-20220153729-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-20080113985-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-20100210638-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-20080306062-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LIPG 1214/4885LPL 580/4885F11 3274/4885
US-10626111-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 LIPG 1229/4885LPL 589/4885F11 3486/4885
US-10766903-B2 Piperidine derivatives as inhibitors of ubiquitin specific protease 7 USP7, USP5, UBA7 LIPG 2600/4885LPL 2569/4885F11 4794/4885

“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.