SCHEMBL2709762

SCHEMBL2709762

CC(C)(C)c1ccc(-n2cc(-c3cccc(C(=O)O)c3)cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
KMT2A Q03164 2/20 0.63
RXRA P19793 2/20 0.56
RXRB P28702 2/20 0.56
DHODH Q02127 1/20 0.48
NTRK1 P04629 1/20 0.46
FLT3 P36888 1/20 0.46
STIM1 Q13586 4/20 0.46
ORAI1 Q96D31 4/20 0.46
HPGDS O60760 1/20 0.46
ALKBH2 Q6NS38 1/20 0.46
KMO O15229 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL17125392 0.91 MEN1 (0.67) MEN1NPC1RAB9AKMT2ARXRA
SCHEMBL181854 0.88 MEN1 (0.77) MEN1NPC1RAB9AKMT2ARXRA
SCHEMBL182353 0.86 NPC1 (0.60) MEN1NPC1RAB9AKMT2ADHODH
SCHEMBL2710770 0.85 MAP4K4 (0.53) MEN1NPC1RAB9AKMT2ARXRA
SCHEMBL182486 0.84 MEN1 (0.63) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL182554 0.84 NPC1 (0.60) MEN1NPC1RAB9AKMT2ARXRA
SCHEMBL17125395 0.83 MEN1 (0.77) MEN1NPC1RAB9AKMT2ARXRA
SCHEMBL2713048 0.83 MEN1 (0.57) MEN1NPC1RAB9AKMT2ASTIM1
SCHEMBL182504 0.83 MEN1 (0.57) MEN1NPC1RAB9AKMT2ARXRA
SCHEMBL182309 0.83 MAPKAPK2 (0.61) MEN1NPC1RAB9AKMT2ASTIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES PTC THERAPEUTICS, INC. (US) 2015-10-01 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
US-9051342-B2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation related diseases PTC THERAPEUTICS, INC. (US) 2015-06-09 US disclosed
EP-2402323-A2 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2012-01-04 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-2363129-A1 Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC Therapeutics, Inc. (US) 2011-09-07 EP disclosed
EP-2316452-A1 Pyrrol derivatives, uses thereof PTC Therapeutics, Inc. (US) 2011-05-04 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-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 US disclosed
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases PTC THERAPEUTICS, INC. 2008-11-13 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 MEN1 3100/4885NPC1 2442/4885RAB9A 2451/4885
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 MEN1 2786/4885NPC1 2269/4885RAB9A 2860/4885
US-20080280869-A1 Pyrazole or Triazole Compounds and Their Use for the Manufacture of a Medicament for Treating Somatic Mutation-Related Diseases UPF1, RNMT, VHL MEN1 3684/4885NPC1 1560/4885RAB9A 3615/4885
US-20150274674-A1 PYRAZOLE OR TRIAZOLE COMPOUNDS AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR TREATING SOMATIC MUTATION-RELATED DISEASES UPF1, RNMT, VHL MEN1 3684/4885NPC1 1560/4885RAB9A 3615/4885

“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.