SCHEMBL1018066

SCHEMBL1018066

N#Cc1ccc(S(=O)(=O)CCCBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
CYP19A1 P11511 3/20 0.46
CA2 P00918 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GSK3B P49841 1/20 0.41
IDO1 P14902 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37

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
SCHEMBL1018068 0.89 MAPT (0.50) MAPTCYP19A1CA2CA12CA1
SCHEMBL9672257 0.84 ALDH1A1 (0.58) MAPTCA2ALDH1A1CYP2C19CYP3A4
SCHEMBL1020576 0.82 CA2 (0.61) MAPTCYP19A1CA2CA12CA1
SCHEMBL13423489 0.81 MAPT (0.53) MAPTCYP19A1CA2CA12CA1
SCHEMBL10409572 0.78 MAPT (0.50) MAPTCYP19A1CA2CA12CA1
SCHEMBL5316692 0.78 MAPT (0.50) MAPTCYP19A1CA2CA12CA1
SCHEMBL1014212 0.78 CA2 (0.58) MAPTCYP19A1CA2CA12CA1
SCHEMBL2098230 0.78 CYP19A1 (0.50) MAPTCYP19A1CA2CA12CA1
SCHEMBL5387555 0.77 PLCG1 (0.59) CA2ALDH1A1CYP2C19CYP3A4CYP2C9
SCHEMBL11335931 0.76 MAPT (0.42) MAPTCYP19A1CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2021-03-11 US disclosed
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2020-06-18 US disclosed
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-09-13 US disclosed
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2018-02-01 US disclosed
US-9790183-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2017-10-17 US disclosed
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2017-01-19 US disclosed
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2016-06-02 US disclosed
US-9321761-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2016-04-26 US disclosed
EP-1328526-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-07-23 EP disclosed
US-6559162-B2 Electrophysiological activity ASTRAZENECA AB (SE) 2003-05-06 US disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1244631-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-10-02 EP disclosed
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2002-09-26 US disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2002060902-A1 3,7-DIAZABICYCLO[3.3.0]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-08-08 WO disclosed
WO-2002032902-A1 3,8-DIAZABICYCLO[3.2.1]OCTANES AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-04-25 WO disclosed
WO-2001047893-A1 NEW AZABICYCLOOCTANE DERIVATIVES USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-07-05 WO disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 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 (9 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-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3822/4885CYP19A1 3751/4885CA2 3856/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3822/4885CYP19A1 3751/4885CA2 3856/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3822/4885CYP19A1 3751/4885CA2 3856/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3696/4885CYP19A1 3863/4885CA2 3954/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3822/4885CYP19A1 3751/4885CA2 3856/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3822/4885CYP19A1 3751/4885CA2 3856/4885
US-20020137766-A1 Azabicyclooctane derivatives useful in the treatment of cardiac arrhythmias KCNH1, KCNH2, KCNH3 MAPT 4857/4885CYP19A1 187/4885CA2 2353/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3822/4885CYP19A1 3751/4885CA2 3856/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO MAPT 3822/4885CYP19A1 3751/4885CA2 3856/4885

“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.