SCHEMBL2709321

SCHEMBL2709321

CC(C)c1ccccc1-n1ccc(-c2cccc(C(=O)O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.48
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
RXRG P48443 1/20 0.41
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
KEAP1 Q14145 1/20 0.39
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
FABP5 Q01469 1/20 0.38
LDHA P00338 1/20 0.38
LDHB P07195 1/20 0.38

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
SCHEMBL2711797 0.86 RXRA (0.43) RXRARXRBRXRGLMNAFAAH
SCHEMBL181683 0.83 KMO (0.51) KMORXRARXRBLMNAGAA
SCHEMBL182385 0.81 KMO (0.51) KMORXRARXRBLMNAKMT2A
SCHEMBL10194254 0.81 KMO (0.51) KMORXRARXRBKMT2AAKR1C3
SCHEMBL182259 0.80 TUBB4A (0.53) KMO
SCHEMBL2710868 0.80 KMO (0.50) KMORXRARXRBKMT2ALDHA
SCHEMBL181967 0.79 RXRA (0.48) KMORXRARXRBRXRGLMNA
SCHEMBL2710486 0.78 KMO (0.59) KMORXRARXRBGAAKMT2A
SCHEMBL16775449 0.78 KMO (0.49) KMORXRARXRBLMNAGAA
SCHEMBL2709568 0.78 EPHX2 (0.48) KMORXRARXRBLMNAKMT2A

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 KMO 4583/4885RXRA 3985/4885RXRB 3931/4885
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 KMO 4622/4885RXRA 4114/4885RXRB 4124/4885
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 KMO 1924/4885RXRA 3460/4885RXRB 3436/4885
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 KMO 1924/4885RXRA 3460/4885RXRB 3436/4885

“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.