SCHEMBL7977007

SCHEMBL7977007

CC(C)(C)OC(=O)N[C@@H](CSc1ccccc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.56
GSTM2 P28161 2/20 0.56
PPARA Q07869 11/20 0.54
PPARG P37231 10/20 0.54
PPARD Q03181 2/20 0.52
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ACE P12821 1/20 0.45
IDO1 P14902 1/20 0.43
CTSS P25774 2/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSK P43235 1/20 0.42
MMP13 P45452 1/20 0.41

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
SCHEMBL15956153 1.00 GSTP1 (0.56) GSTP1GSTM2PPARAPPARGPPARD
SCHEMBL15564841 0.88 PPARA (0.55) GSTP1GSTM2PPARAPPARGPPARD
SCHEMBL15564842 0.88 PPARA (0.55) GSTP1GSTM2PPARAPPARGPPARD
SCHEMBL23188989 0.86 GSTP1 (0.50) GSTP1GSTM2PPARAPPARGPPARD
SCHEMBL1999989 0.85 GSTP1 (0.55) GSTP1GSTM2PPARAPPARGPPARD
SCHEMBL8905165 0.83 ALDH1A1 (0.53) GSTP1GSTM2KDM4EALDH1A1MAPT
SCHEMBL11070847 0.83 ALDH1A1 (0.53) GSTP1GSTM2KDM4EALDH1A1MAPT
SCHEMBL28632724 0.83 GSTP1 (0.55) GSTP1GSTM2PPARAPPARGPPARD
SCHEMBL20280032 0.83 GSTP1 (0.55) GSTP1GSTM2PPARAPPARGPPARD
SCHEMBL22687233 0.83 PPARA (0.51) GSTP1GSTM2PPARAPPARGPPARD

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed
CN-108774214-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-03-09 CN disclosed
US-10940154-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-09 US disclosed
US-10933070-B2 Heterocyclic amides as kinase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-03-02 US disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3342771-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-11-25 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
EP-3375780-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-06-03 EP disclosed
CN-106928203-B Heterocyclic amides as kinase inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2020-02-07 CN disclosed
US-20190262356-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-29 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-01-12 US disclosed
EP-2956452-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2015-12-23 EP disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-12-10 US disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
WO-2014125444-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2014-08-21 WO disclosed
US-6281352-B1 ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY 2001-08-28 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 (5 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-10940154-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 GSTP1 3983/4885GSTM2 3081/4885PPARA 1994/4885
US-20190262356-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 GSTP1 3983/4885GSTM2 3081/4885PPARA 1994/4885
US-20170008878-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP4K2 GSTP1 3983/4885GSTM2 3081/4885PPARA 1994/4885
US-10933070-B2 Heterocyclic amides as kinase inhibitors CNKSR1, ARAF, MAP4K2 GSTP1 3983/4885GSTM2 3081/4885PPARA 1994/4885
US-20150353533-A1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS CNKSR1, ARAF, MAP3K3 GSTP1 3971/4885GSTM2 2925/4885PPARA 1878/4885

“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.