SCHEMBL5201678

SCHEMBL5201678

O=C(O)c1cccc(-c2cc(-c3ccc(C(F)(F)F)cc3)on2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
DHODH Q02127 1/20 0.50
EPHX2 P34913 1/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
IP6K1 Q92551 1/20 0.48
IP6K3 Q96PC2 1/20 0.48
IP6K2 Q9UHH9 1/20 0.48
KDM4E B2RXH2 1/20 0.48
P2RY14 Q15391 3/20 0.47
FAAH O00519 1/20 0.47
TSPO P30536 2/20 0.46
CYP2C9 P11712 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
NR1H4 Q96RI1 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL5206575 0.96 ALDH1A1 (0.52) ALDH1A1DHODHEPHX2NPC1RAB9A
SCHEMBL31011143 0.89 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL26096270 0.89 ALDH1A1 (0.62) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL8183194 0.88 ABCB1 (0.55) EPHX2NPC1RAB9AP2RY14FAAH
SCHEMBL5202132 0.88 ABCB1 (0.55) EPHX2NPC1RAB9AP2RY14FAAH
SCHEMBL5206252 0.86 NPC1 (0.66) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL5205489 0.85 ALDH1A1 (0.52) ALDH1A1EPHX2NPC1RAB9AFAAH
SCHEMBL12171547 0.85 NPC1 (0.53) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL957155 0.84 PTPN1 (0.61) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL17336802 0.84 NPC1 (0.62) ALDH1A1NPC1RAB9AMEN1KMT2A

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 22 patents — showing the first 20. 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-2301538-A1 Compounds for nonsense suppression, and methods for their use PTC Therapeutics, Inc. (US) 2011-03-30 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
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
US-7223791-B2 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-05-29 US disclosed
US-20040157881-A1 Function regulator for retinoid relative receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
EP-1405636-A1 FUNCTION REGULATOR FOR RETINOID RELATIVE RECEPTOR Takeda Chemical Industries, Ltd. (JP) 2004-04-07 EP 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-20040157881-A1 Function regulator for retinoid relative receptor RXRA, RARA, RARG ALDH1A1 700/4885DHODH 1853/4885EPHX2 1796/4885
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 ALDH1A1 4089/4885DHODH 2054/4885EPHX2 4584/4885
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 ALDH1A1 3907/4885DHODH 1669/4885EPHX2 4345/4885
US-20090253699-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 ALDH1A1 3402/4885DHODH 1724/4885EPHX2 3403/4885
US-20170204073-A1 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE NSUN2, UPF1, NSUN3 ALDH1A1 3402/4885DHODH 1724/4885EPHX2 3403/4885

“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.