SCHEMBL1733478

SCHEMBL1733478

CS(=O)(=O)Nc1cc(F)cc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
KEAP1 Q14145 1/20 0.48
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
KIF11 P52732 4/20 0.42
ACLY P53396 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SOS1 Q07889 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
PIK3CB P42338 1/20 0.41
MAP2K4 P45985 1/20 0.41

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
SCHEMBL13802151 0.87 BRD4 (0.44) BRD4KEAP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL31560951 0.86 BRD4 (0.43) BRD4KEAP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL17331932 0.86 BRD4 (0.43) BRD4KEAP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL25353014 0.86 BRD4 (0.43) BRD4KEAP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4169754 0.86 BRD4 (0.43) BRD4KEAP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16868358 0.82 HPGD (0.43) BRD4KEAP1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL16658367 0.82 EPHX2 (0.47) BRD4KEAP1KIF11ACLY
SCHEMBL12811024 0.79 PTGS1 (0.57) KEAP1ALDH1A1SMN1; SMN2LMNAKIF11
SCHEMBL30023958 0.79 PTGS1 (0.57) KEAP1ALDH1A1SMN1; SMN2LMNAKIF11
SCHEMBL20782063 0.78 ALDH1A1 (0.40) BRD4KEAP1ALDH1A1SMN1; SMN2KDM4E

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383885-A1 Compounds for Treating Cannabinoid Toxicity and Acute Cannabinoid Overdose MAKSCIENTIFIC, LLC 2024-11-21 US disclosed
US-12054480-B2 Compounds for treating cannabinoid toxicity and acute cannabinoid overdose MAKSCIENTIFIC, LLC (US) 2024-08-06 US disclosed
US-20220033393-A1 Compounds for Treating Cannabinoid Toxicity and Acute Cannabinoid Overdose MAKSCIENTIFIC, LLC 2022-02-03 US disclosed
EP-2877176-B1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING TRK PF MEDICAMENT (FR) 2017-04-26 EP disclosed
US-9428510-B2 Derivatives of azaindazole or diazaindazole type for treating a cancer overexpressing Trk PIERRE FABRE MEDICAMENT (FR) 2016-08-30 US disclosed
US-9381195-B2 Derivatives of azaindazole or diazaindazole type for treating pain PIERRE FABRE MEDICAMENT (FR) 2016-07-05 US disclosed
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk PIERRE FABRE MEDICAMENT (FR) 2015-09-24 US disclosed
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN PIERRE FABRE MEDICAMENT (FR) 2015-07-09 US disclosed
US-8883821-B2 Substituted pyrazolo[3,4-b]pyridines as medicaments PIERRE FABRE MEDICAMENT (FR) 2014-11-11 US disclosed
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT PIERRE FABRE MEDICAMENT (FR) 2013-04-04 US disclosed
EP-1649849-A2 Compositions for the treatment of Parkinson's disease containing a CB1 receptor antagonist and a product that activates the dopaminergic neurotransmission in the brain. Aventis Pharma S.A. (FR) 2006-04-26 EP disclosed
WO-2006040464-A1 METHOD AND INTERMEDIATES FOR THE PREPARATION OF DERIVATIVES OF N-(1-BENZHYDRYL-AZETIDIN-3-YL)-N-PHENYL-METHYLSULPHONAMIDE AVENTIS PHARMA S.A. (FR) 2006-04-20 WO disclosed
WO-2006040465-A2 NOVEL PRODUCT, METHOD AND INTERMEDIATES FOR THE PREPARATION OF AZETIDINE DERIVATIVES AVENTIS PHARMA S.A. (FR) 2006-04-20 WO disclosed
US-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease AVENTIS PHARMA S.A. (FR) 2004-10-21 US disclosed
EP-1423145-A1 COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT THAT ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN Aventis Pharma S.A. (FR) 2004-06-02 EP disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
WO-2003020314-A1 COMPOSITIONS FOR THE TREATMENT OF PARKINSON'S DISEASE CONTAINING A CB1 RECEPTOR ANTAGONIST AND A PRODUCT THAT ACTIVATES DOPAMINERGIC NEUROTRANSMISSION IN THE BRAIN AVENTIS PHARMA S.A. (FR) 2003-03-13 WO disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 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 (7 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-20240383885-A1 Compounds for Treating Cannabinoid Toxicity and Acute Cannabinoid Overdose CNR1, CNR2, OPRM1 BRD4 938/4885KEAP1 1482/4885ALDH1A1 2782/4885
US-20150266880-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING A CANCER OVEREXPRESSING Trk TTK, NTRK1, NTRK3 BRD4 308/4885KEAP1 3657/4885ALDH1A1 3886/4885
US-20130085144-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE AS MEDICAMENT MAP2K5, MAP2K2, MAP2K3 BRD4 749/4885KEAP1 920/4885ALDH1A1 2415/4885
US-20150190394-A1 DERIVATIVES OF AZAINDAZOLE OR DIAZAINDAZOLE TYPE FOR TREATING PAIN SCN3A, ACHE, QDPR BRD4 1509/4885KEAP1 1769/4885ALDH1A1 998/4885
US-20220033393-A1 Compounds for Treating Cannabinoid Toxicity and Acute Cannabinoid Overdose CNR1, CNR2, OPRM1 BRD4 938/4885KEAP1 1482/4885ALDH1A1 2782/4885
US-20040209861-A1 Combination of a CB1 receptor antagonist and of a product which activatives dopaminergic neurotransmission in the brain, the pharmaceutical compositions comprising them and their use in the treatment of parkinson's disease CNR1, CNR2, GPR18 BRD4 1004/4885KEAP1 2460/4885ALDH1A1 2669/4885
US-12054480-B2 Compounds for treating cannabinoid toxicity and acute cannabinoid overdose CNR1, CNR2, OPRM1 BRD4 938/4885KEAP1 1482/4885ALDH1A1 2782/4885

“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.