SCHEMBL12008481

SCHEMBL12008481

COc1cccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 3/20 1.00
▸ TCF7L2 Q9NQB0 1/20 1.00
▸ TAS2R14 Q9NYV8 3/20 0.68
▸ PPARG P37231 1/20 0.63
▸ MAPT P10636 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ NCOA3 Q9Y6Q9 1/20 0.62
▸ KLKB1 P03952 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.61
▸ CISD1 Q9NZ45 2/20 0.60
▸ MAOA P21397 1/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ PKM P14618 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ TCF4 P15884 1/20 0.57

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
SCHEMBL18095868 1.00 CTNNB1 (1.00) CTNNB1TCF7L2TAS2R14PPARGMAPT
SCHEMBL18102970 1.00 CTNNB1 (1.00) CTNNB1TCF7L2TAS2R14PPARGMAPT
SCHEMBL12008548 0.94 CTNNB1 (0.89) CTNNB1TCF7L2TAS2R14PPARGMAPT
SCHEMBL12008756 0.90 CTNNB1 (0.82) CTNNB1TCF7L2TAS2R14PPARGMAPT
SCHEMBL12008815 0.90 CTNNB1 (0.81) CTNNB1TCF7L2TAS2R14PPARGMAPT
SCHEMBL12008777 0.90 CTNNB1 (0.81) CTNNB1TCF7L2TAS2R14PPARGMAPT
SCHEMBL8205510 0.85 CTNNB1 (0.73) CTNNB1TCF7L2MAPTALDH1A1NPSR1
SCHEMBL8205507 0.85 CTNNB1 (0.73) CTNNB1TCF7L2MAPTALDH1A1NPSR1
SCHEMBL13446842 0.84 POLB (0.76) CTNNB1TCF7L2TAS2R14PPARGMAPT
SCHEMBL12008468 0.84 CTNNB1 (0.72) CTNNB1TCF7L2TAS2R14PPARGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 — — US disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 — — US disclosed
EP-3282846-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME University of Miami (US) 2018-02-21 — — EP disclosed
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — US disclosed
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF DASGUPTA RAMANUJ (US) 2017-02-23 — — US disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — WO disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — WO disclosed
US-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 — — US disclosed
US-9173871-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2015-11-03 — — US disclosed
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 — — US disclosed
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY 2013-05-02 — — US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 — — US disclosed
US-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF UNITED STATES GOVERNMENT 2012-10-18 — — US disclosed
US-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 — — US disclosed
US-8252823-B2 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2012-08-28 — — US disclosed
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof US ARMY, SECRETARY OF THE ARMY 2009-09-10 — — US disclosed
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof US ARMY, SECRETARY OF THE ARMY 2009-09-10 — — 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 (6 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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CTNNB1 1/4885TCF7L2 17/4885TAS2R14 4035/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 CTNNB1 1/4885TCF7L2 12/4885TAS2R14 4140/4885
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 CTNNB1 551/4885TCF7L2 15/4885TAS2R14 4699/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CTNNB1 1/4885TCF7L2 12/4885TAS2R14 4140/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 CTNNB1 551/4885TCF7L2 15/4885TAS2R14 4699/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CTNNB1 1/4885TCF7L2 12/4885TAS2R14 4140/4885

“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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