SCHEMBL586294

SCHEMBL586294

CC(C)(C)OC(=O)N1CCOc2ccc(/C=C/B3OC(C)(C)C(C)(C)O3)cc2C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.44
▸ RIPK1 Q13546 5/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ CREBBP Q92793 2/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ AKR1C3 P42330 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ GPR183 P32249 1/20 0.33

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
SCHEMBL586295 1.00 HDAC1 (0.44) HDAC1RIPK1ESR2NR1H2MAPK1
SCHEMBL12694450 0.82 HDAC1 (0.48) HDAC1RIPK1ESR2NR1H2MAPK1
SCHEMBL15783749 0.82 HDAC1 (0.53) HDAC1RIPK1ESR2NR1H2MAPK1
SCHEMBL3761090 0.82 RIPK1 (0.47) HDAC1RIPK1ESR2NR1H2MAPK1
SCHEMBL857473 0.81 USP30 (0.45) RIPK1ESR2NR1H2MAPK1CREBBP
SCHEMBL12694452 0.81 HDAC1 (0.54) HDAC1RIPK1ESR2NR1H2MAPK1
SCHEMBL19657617 0.76 RIPK1 (0.64) RIPK1ESR2NR1H2MAPK1CREBBP
SCHEMBL29984180 0.75 USP30 (0.45) HDAC1RIPK1ESR2NR1H2MAPK1
SCHEMBL30405260 0.75 RIPK1 (0.48) HDAC1RIPK1ESR2NR1H2MAPK1
SCHEMBL856288 0.75 RIPK1 (0.48) HDAC1RIPK1ESR2NR1H2MAPK1

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-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-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 — — US disclosed
EP-2556071-B1 KINASE INHIBITORS AND THEIR USE IN TREATING CANCER UNIV HEALTH NETWORK (CA) 2016-08-17 — — EP disclosed
US-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2016-02-18 — — US disclosed
US-9139563-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2015-09-22 — — US disclosed
US-8999968-B2 Kinase inhibitors and method of treating cancer with same UNIVERSITY HEALTH NETWORK (CA) 2015-04-07 — — US disclosed
EP-2417127-B1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIV HEALTH NETWORK (CA) 2014-02-26 — — EP disclosed
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIV HEALTH NETWORK (CA) 2014-02-13 — — US disclosed
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2014-02-13 — — 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-8481533-B2 Kinase inhibitors and method of treating cancer UNIVERSITY 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

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-20160045511-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HDAC1 650/4885RIPK1 698/4885ESR2 2503/4885
US-20120264800-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HDAC1 650/4885RIPK1 698/4885ESR2 2503/4885
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 HDAC1 639/4885RIPK1 728/4885ESR2 2801/4885
US-20140045838-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HDAC1 650/4885RIPK1 698/4885ESR2 2503/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HDAC1 650/4885RIPK1 698/4885ESR2 2503/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 HDAC1 650/4885RIPK1 698/4885ESR2 2503/4885
US-20140045822-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 HDAC1 639/4885RIPK1 728/4885ESR2 2801/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 HDAC1 650/4885RIPK1 698/4885ESR2 2503/4885

“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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