SCHEMBL1070604

SCHEMBL1070604

CC1(C)OB(c2cc(NC(=O)c3ccc(S(C)(=O)=O)cc3)ccc2Cl)OC1(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA9 Q16790 2/20 0.55
ADORA3 P0DMS8 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA2B P29275 1/20 0.54
ADORA1 P30542 1/20 0.54
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 1/20 0.49
AVPR2 P30518 1/20 0.46
GPR27 Q9NS67 1/20 0.46
ROCK2 O75116 1/20 0.42
NPC1 O15118 3/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
LRRK2 Q5S007 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL12481487 0.87 SMO (0.57) MEN1KMT2AALDH1A1AVPR2GPR27
SCHEMBL3577406 0.79 LMNA (0.44) CA1CA2CA9ALDH1A1NPC1
SCHEMBL16533832 0.79 MAPT (0.53) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL16599542 0.78 RORC (0.43) MEN1KMT2AALDH1A1NPC1MAPT
SCHEMBL3667451 0.78 EPHX1 (0.39) CA1CA2CA9ADORA3MEN1
SCHEMBL10238306 0.73 MAPT (0.65) ADORA3ADORA2AADORA2BADORA1MEN1
SCHEMBL1073340 0.73 CYP2C9 (0.54)
SCHEMBL3767805 0.72 AAK1 (0.45) CA1CA2CA9ALDH1A1GAA
SCHEMBL13197996 0.72 NPC1 (0.57) CA1CA2CA9MEN1KMT2A
SCHEMBL25295838 0.71 LMNA (0.41) CA1CA2CA9ALDH1A1NPC1

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-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 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
US-9278961-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2016-03-08 US disclosed
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GUNZNER JANET L (US) 2012-04-19 US disclosed
EP-1789390-B1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH INC (US) 2011-11-09 EP disclosed
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS ROYALTY LLC 2011-04-21 US disclosed
US-7888364-B2 Pyridyl inhibitors of hedgehog signalling CURIS, INC. (US) 2011-02-15 US disclosed
EP-2271642-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2011-01-12 EP disclosed
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
WO-2009126863-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-10-15 WO disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 US disclosed
WO-2006028958-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2006-03-16 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 (11 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 CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4482/4885CA2 3954/4885CA9 3896/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO CA1 4396/4885CA2 3856/4885CA9 3829/4885

“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.