SCHEMBL578329

SCHEMBL578329

CC(C)CCN1C(=O)C(=O)c2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.71
BCHE P06276 2/20 0.71
ALDH1A1 P00352 7/20 0.62
ALDH3A1 P30838 5/20 0.62
ALDH2 P05091 4/20 0.62
TGM2 P21980 1/20 0.61
CDC25A P30304 1/20 0.60
PARK7 Q99497 1/20 0.59
PKM P14618 1/20 0.56
TP53 P04637 1/20 0.55
AGTR1 P30556 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
CHRM1 P11229 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
TTR P02766 1/20 0.53
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53
ACHE P22303 1/20 0.51

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
SCHEMBL11149709 0.87 CES1 (0.67) CES1BCHEALDH1A1ALDH3A1ALDH2
SCHEMBL5428316 0.86 CES1 (0.65) CES1BCHEALDH1A1ALDH3A1ALDH2
SCHEMBL19924204 0.84 CES1 (1.00) CES1BCHEALDH1A1ALDH3A1ALDH2
SCHEMBL12930202 0.83 CES1 (0.65) CES1BCHEALDH1A1ALDH3A1ALDH2
SCHEMBL281962 0.81 ALDH1A1 (0.64) CES1BCHEALDH1A1ALDH3A1ALDH2
SCHEMBL3016508 0.81 CES1 (0.79) CES1BCHEALDH1A1ALDH3A1ALDH2
SCHEMBL10682318 0.81 CES1 (0.67) CES1BCHEALDH1A1ALDH3A1ALDH2
SCHEMBL7524646 0.80 KEAP1 (0.60) ALDH1A1MAOB
SCHEMBL29596524 0.80 KEAP1 (0.60) ALDH1A1MAOB
SCHEMBL25119569 0.80 CES1 (0.85) CES1BCHEALDH1A1ALDH3A1ALDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9920029-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-03-20 US disclosed
US-9920029-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-03-20 US disclosed
US-9920029-B2 Isatin compounds, compositions and methods for treatment of degenerative diseases and disorders MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2018-03-20 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 US disclosed
EP-2970183-A2 ISATIN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT OF DEGENERATIVE DISEASES AND DISORDERS Musc Foundation for Research Development (US) 2016-01-20 EP disclosed
US-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 US disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 US disclosed
US-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-8481525-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY OF HEALTH NETWORK (CA) 2013-07-09 US disclosed
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2012-10-18 US disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 WO disclosed
US-20070105820-A1 Oxindole compounds and their uses as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2007-05-10 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 (8 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-20070105820-A1 Oxindole compounds and their uses as therapeutic agents OPRL1, OPRK1, TRPV1 CES1 4183/4885BCHE 3876/4885ALDH1A1 1136/4885
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CES1 3118/4885BCHE 3927/4885ALDH1A1 2389/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CES1 3118/4885BCHE 3927/4885ALDH1A1 2389/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 CES1 3090/4885BCHE 3829/4885ALDH1A1 2633/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CES1 3118/4885BCHE 3927/4885ALDH1A1 2389/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CES1 3118/4885BCHE 3927/4885ALDH1A1 2389/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 CES1 3118/4885BCHE 3927/4885ALDH1A1 2389/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 CES1 3118/4885BCHE 3927/4885ALDH1A1 2389/4885

“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.