SCHEMBL1254147

SCHEMBL1254147

CCCC(=O)C(C=CC(=O)OC)=C(C)N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.45
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GFPT1 Q06210 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32

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
SCHEMBL1254146 1.00 HCAR2 (0.45) HCAR2KEAP1NFE2L2CES2CES1
SCHEMBL7375216 0.77 HCAR2 (0.56) HCAR2KEAP1NFE2L2MAPTRAB9A
SCHEMBL7375212 0.77 HCAR2 (0.56) HCAR2KEAP1NFE2L2MAPTRAB9A
SCHEMBL14870465 0.76 HCAR2 (0.45) HCAR2KEAP1NFE2L2MAPTRAB9A
SCHEMBL4890688 0.76 HCAR2 (0.45) HCAR2KEAP1NFE2L2MAPTRAB9A
SCHEMBL4894532 0.76 HCAR2 (0.54) HCAR2KEAP1NFE2L2MAPTGFPT1
SCHEMBL26463488 0.76 HCAR2 (0.54) HCAR2KEAP1NFE2L2CES2CES1
Dimethyl Maleate SCHEMBL20508358 0.72 HCAR2 (0.77) HCAR2KEAP1NFE2L2MAPTRAB9A
SCHEMBL1018102 0.71 HCAR2 (0.43) HCAR2KEAP1NFE2L2CES2CES1
SCHEMBL1254149 0.68 CES2 (0.39) CES2CES1FFAR3HDAC3HDAC1

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 19 patents. 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-9278961-B2 Pyridyl inhibitors of hedgehog signalling GENENTECH, INC. (US) 2016-03-08 US disclosed
US-20150111879-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS, INC. (US) 2015-04-23 US disclosed
US-20150105550-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING CURIS, INC. (US) 2015-04-16 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
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2009-11-12 US disclosed
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling CURIS ROYALTY LLC 2006-03-23 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 (14 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-20150105550-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20150111879-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20200190030-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20160152569-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2250/4885KEAP1 806/4885NFE2L2 1979/4885
US-20180029984-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20210070707-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20090281089-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20120094980-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20180258043-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20170015627-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20060063779-A1 Pyridyl inhibitors of hedgehog signalling SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885
US-20110092461-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO HCAR2 2179/4885KEAP1 841/4885NFE2L2 1956/4885

“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.