SCHEMBL1018963

SCHEMBL1018963

O=S(=O)(Oc1ccc(-c2ccccc2)cn1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.41
PDE4C Q08493 3/20 0.41
PDE4D Q08499 3/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
DGAT1 O75907 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
OXTR P30559 2/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
PTPN1 P18031 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KIF11 P52732 1/20 0.36

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
SCHEMBL16751245 0.82 PDE4A (0.46) PDE4APDE4CPDE4DCA1CA2
SCHEMBL7952665 0.80 CA1 (0.39) PDE4APDE4CPDE4DCA1CA2
Biphenyl SCHEMBL28023256 0.78 PDE4A (0.42) PDE4APDE4CPDE4DCA1CA2
SCHEMBL16738294 0.78 PDE4D (0.47) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL28487624 0.78 NPC1 (0.55) CA1CA2CA9ADORA2AADORA1
SCHEMBL30832531 0.78 CXCR2 (0.36) PDE4APDE4CPDE4DCA1CA2
SCHEMBL18388891 0.78 ADORA2A (0.46) PDE4APDE4CPDE4DCA1CA2
SCHEMBL24360466 0.77 CA2 (0.62) CA1CA2CA9ADORA2AADORA1
SCHEMBL5532552 0.77 CA2 (0.62) CA1CA2CA9ADORA2AADORA1
SCHEMBL28023254 0.77 PDE4A (0.41) PDE4APDE4CPDE4DDGAT1HSD17B1

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 23 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
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 (12 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 PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1361/4885PDE4C 1776/4885PDE4D 1550/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PDE4A 1337/4885PDE4C 1735/4885PDE4D 1554/4885

“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.