SCHEMBL1017950

SCHEMBL1017950

O=S(=O)(Oc1ccc(Cl)cn1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NFE2L2 Q16236 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
LIPE Q05469 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
PTK2 Q05397 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL7952665 0.82 CA1 (0.39) PDE4APDE4CPDE4DL3MBTL1ALDH1A1
SCHEMBL30832531 0.81 CXCR2 (0.36) PDE4APDE4CPDE4DKDM4EL3MBTL1
SCHEMBL3574836 0.79 ALDH1A1 (0.38) PDE4APDE4CPDE4DKDM4EL3MBTL1
SCHEMBL16548489 0.79 KDM4E (0.40) PDE4APDE4CPDE4DKDM4EL3MBTL1
SCHEMBL16422332 0.79 CA2 (0.36) PDE4APDE4CPDE4DL3MBTL1CA1
SCHEMBL2749007 0.79 PDE4A (0.48) PDE4APDE4CPDE4DL3MBTL1ADORA2A
SCHEMBL1396872 0.79 PDE4A (0.48) PDE4APDE4CPDE4DL3MBTL1ADORA2A
SCHEMBL1018963 0.77 PDE4A (0.41) PDE4APDE4CPDE4DADORA2AADORA1
SCHEMBL8178203 0.77 L3MBTL1 (0.60) POLBL3MBTL1ALDH1A1MAPTHSD17B10
SCHEMBL16562036 0.77 L3MBTL1 (0.49) PDE4APDE4CPDE4DPOLBKDM4E

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 31 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-1778632-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2008-08-20 EP disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1789390-A2 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING Genentech, Inc. (US) 2007-05-30 EP disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 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
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 WO disclosed
US-5922742-A NOVEL COMPOUNDS ACT AS ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, AND ANALGESICS AND WOULD INHIBIT HORMONE-INDUCED UTERINE CONTRACTIONS WITHOUT MECHANISM-BASED SIDE EFFECTS MERCK FROSST CANADA (CA) 1999-07-13 US disclosed
EP-0900201-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1999-03-10 EP disclosed
WO-1997040012-A1 PYRIDINYL-2-CYCLOPENTEN-1-ONES AS SELECTIVE CYCLOOXYGENASE-2 INHIBITORS MERCK FROSST CANADA INC. (CA) 1997-10-30 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 (10 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PDE4A 1851/4885PDE4C 2957/4885PDE4D 3284/4885
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-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

“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.