SCHEMBL12172015

SCHEMBL12172015

COc1cccc(-c2n[nH]c(-c3cccc(C(=O)O)c3)n2)c1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.74
NR1H3 Q13133 1/20 0.74
ADORA2A P29274 5/20 0.65
ADORA1 P30542 5/20 0.65
GRK6 P43250 2/20 0.58
DCUN1D1 Q96GG9 1/20 0.55
PIN1 Q13526 1/20 0.54
CSNK2A1 P68400 2/20 0.49
STIM1 Q13586 1/20 0.49
ORAI1 Q96D31 1/20 0.49
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLK1 P53350 1/20 0.48
VDR P11473 1/20 0.47
GSK3B P49841 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 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
SCHEMBL1505403 0.90 NR1H2 (0.59) NR1H2NR1H3ADORA2AADORA1GRK6
SCHEMBL17279794 0.87 NR1H2 (0.86) NR1H2NR1H3ADORA2AADORA1GRK6
SCHEMBL12171904 0.86 NR1H2 (0.54) NR1H2NR1H3ADORA2AADORA1GRK6
SCHEMBL30149870 0.85 NR1H2 (0.89) NR1H2NR1H3ADORA2AADORA1GRK6
SCHEMBL29035880 0.85 NR1H2 (0.89) NR1H2NR1H3ADORA2AADORA1GRK6
SCHEMBL12171118 0.84 NR1H2 (0.64) NR1H2NR1H3ADORA2AGRK6MAPT
SCHEMBL21834365 0.82 GRK6 (0.62) NR1H2NR1H3ADORA2AADORA1GRK6
SCHEMBL17348266 0.81 NR1H2 (0.60) NR1H2NR1H3ADORA2AADORA1MAPT
SCHEMBL24242695 0.81 NR1H2 (0.60) NR1H2NR1H3ADORA2AMAPTSMN1; SMN2
SCHEMBL12798250 0.81 NR1H2 (0.60) NR1H2NR1H3ADORA2AGRK6MAPT

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2017-07-20 US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
US-9611230-B2 1,3,4-oxadiazole benzoic acid compounds and their use for nonsense suppression and the treatment of disease PTC THERAPEUTICS, INC. (US) 2017-04-04 US disclosed
EP-3067053-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2016-09-14 EP disclosed
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. 2016-07-14 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
US-9289398-B2 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC THERAPEUTICS, INC. (US) 2016-03-22 US disclosed
EP-2939674-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2015-11-04 EP disclosed
EP-2387995-A1 Methods for the production of functional protein from DNA having a nonsense mutation and the treatment of disorders associated therewith PTC Therapeutics, Inc. (US) 2011-11-23 EP disclosed
EP-2311455-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-04-20 EP disclosed
EP-2301536-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
EP-2301538-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-03-30 EP disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use PCT THERAPEUTICS, INC. (US) 2009-10-08 US disclosed
WO-2007117438-A2 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH PTC THERAPEUTICS, INC. (US) 2007-10-18 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 (4 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-20110046136-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCICATED THEREWITH UPF1, DNAJC10, RNGTT NR1H2 4481/4885NR1H3 4544/4885ADORA2A 4310/4885
US-20160199357-A1 METHODS FOR THE PRODUCTION OF FUNCTIONAL PROTEIN FROM DNA HAVING A NONSENSE MUTATION AND THE TREATMENT OF DISORDERS ASSOCIATED THEREWITH UPF1, DNAJC10, RNGTT NR1H2 4389/4885NR1H3 4459/4885ADORA2A 4417/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 NR1H2 3235/4885NR1H3 3307/4885ADORA2A 1850/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 NR1H2 3235/4885NR1H3 3307/4885ADORA2A 1850/4885

“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.