SCHEMBL4882367

SCHEMBL4882367

COc1ccc(-c2cnc(-c3ccc(C(=O)O)cc3)o2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
PTPN1 P18031 3/20 0.57
MMP2 P08253 3/20 0.57
MMP9 P14780 3/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
LMNA P02545 1/20 0.57
TP53 P04637 1/20 0.57
CYP1A2 P05177 1/20 0.57
GLA P06280 1/20 0.57
GAA P10253 1/20 0.57
CYP2C9 P11712 1/20 0.57
NFKB1 P19838 1/20 0.57
CYP2C19 P33261 1/20 0.57
CASP3 P42574 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57

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
SCHEMBL4266327 0.89 NPC1 (0.54) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL31614563 0.88 RAB9A (0.69) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL31614585 0.87 RAB9A (0.68) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL1180905 0.87 KDM4E (0.72) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL12797826 0.86 PTPN1 (0.59) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL4257919 0.86 SMN1; SMN2 (0.58) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL12796857 0.86 PPARD (0.54) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL12796938 0.85 PTPN1 (0.64) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL12171995 0.84 RAB9A (0.64) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1
SCHEMBL12887894 0.84 RAB9A (0.78) KDM4EALDH1A1HPGDSMN1; SMN2PTPN1

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-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US claimed
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-2311455-B1 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS INC (US) 2015-07-15 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
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof AGRIUS GROUP, LLC. 2008-01-17 US disclosed
WO-2007149395-A2 2,5-SUBSTITUTED OXAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS FOR THE TREATMENT OF CANCER AMPHORA DISCOVERY CORPORATION (US) 2007-12-27 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 (5 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 KDM4E 3821/4885ALDH1A1 4089/4885HPGD 2692/4885
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 KDM4E 3746/4885ALDH1A1 3907/4885HPGD 2182/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 KDM4E 1227/4885ALDH1A1 3402/4885HPGD 3698/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 KDM4E 1227/4885ALDH1A1 3402/4885HPGD 3698/4885
US-20080015193-A1 Certain azoles exhibiting ATP-utilizing enzyme inhibitory activity, compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK KDM4E 2869/4885ALDH1A1 404/4885HPGD 671/4885

“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.