SCHEMBL12336061

SCHEMBL12336061

CC[S+]([O-])c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 2/20 0.49
▸ GRIA1 P42261 2/20 0.44
▸ CACNG8 Q8WXS5 2/20 0.44
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ EPHX2 P34913 2/20 0.42
▸ PDK2 Q15119 1/20 0.42
▸ GAA P10253 3/20 0.42
▸ PGR P06401 3/20 0.41
▸ PKM P14618 2/20 0.40
▸ MAOB P27338 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP11B1 P15538 1/20 0.40
▸ CYP11B2 P19099 1/20 0.40
▸ PDE4A P27815 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39

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
SCHEMBL7206881 0.85 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL15170865 0.80 AHR (0.57) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL578518 0.72 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL7121335 0.72 AHR (0.56) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL19778191 0.72 DRD2 (0.46) GAA
SCHEMBL6602558 0.72 GAA (0.57) AHRGAAPKM
SCHEMBL7349900 0.70 AHR (0.53) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL433708 0.70 AHR (0.61) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL689457 0.69 MAOB (0.62) AHRGRIA1CACNG8PDE3BPDE3A
SCHEMBL9096698 0.69 AHR (0.51) AHRGRIA1CACNG8PDE3BPDE3A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 — — US disclosed
US-9539239-B1 Compositions and methods for treatment of neurodegenerative disease UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-01-10 — — US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 — — US disclosed
US-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE SCRIPPS RESEARCH INSTITUTE (US) 2016-12-22 — — US disclosed
US-9162981-B2 Compositions and methods for treatment of neurodegenerative disease THE JOHNS HOPKINS UNIVERSITY (US) 2015-10-20 — — US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 — — US disclosed
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease THE SCRIPPS RESEARCH INSTITUTE (US) 2013-08-22 — — US disclosed
WO-2011119777-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE THE JOHNS HOPKINS UNIVERSITY (US) 2011-09-29 — — 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 (2 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-20160367527-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF NEURODEGENERATIVE DISEASE CLN6, PSEN2, CHAT AHR 3990/4885GRIA1 1274/4885CACNG8 2691/4885
US-20130217679-A1 Compositions and Methods for Treatment of Neurodegenerative Disease CLN6, PSEN2, CHAT AHR 3990/4885GRIA1 1274/4885CACNG8 2691/4885

“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.

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