SCHEMBL1018225

SCHEMBL1018225

O=S(=O)(Oc1cccc(Cl)n1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
NFE2L2 Q16236 5/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33

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
SCHEMBL17442932 0.80 CA1 (0.39) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL25406591 0.79 PDE4A (0.40) PDE4APDE4CPDE4DCA1CA2
SCHEMBL6985382 0.79 PDE4A (0.40) PDE4APDE4CPDE4DPTGS2CA1
SCHEMBL10461699 0.77 PTGS2 (0.43) CYP3A4TSHRKDM1AL3MBTL1PTGS2
SCHEMBL22573236 0.76 PDE4A (0.46) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL2185193 0.74 PDE4A (0.37) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL5106809 0.74 MEN1 (0.48) PDE4APDE4CPDE4DCYP3A4ADORA2A
SCHEMBL1314787 0.73 PDE4A (0.41) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL22625829 0.73 PDE4A (0.38) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL5225940 0.73 BRD4 (0.41) PDE4APDE4CPDE4DADORA2AADORA1

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 25 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-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-7026478-B2 Iron catalyzed cross coupling reactions of aromatic compounds STUDIENGESELLSCHAFT KOHLE MBH (DE) 2006-04-11 US 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
US-20030220498-A1 Iron catalyzed cross coupling reactions of aromatic compounds STUDIENGESELLSCHAFT KOHLE MBH (DE) 2003-11-27 US 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-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-20030220498-A1 Iron catalyzed cross coupling reactions of aromatic compounds ARRB1, RBX1, CYP4X1 PDE4A 4804/4885PDE4C 4852/4885PDE4D 4868/4885
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.