SCHEMBL12008758

SCHEMBL12008758

COc1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 1.00
NCOA3 Q9Y6Q9 3/20 1.00
ALDH1A1 P00352 1/20 1.00
MITF O75030 2/20 0.80
RAB9A P51151 1/20 0.80
TAS2R14 Q9NYV8 3/20 0.79
CISD1 Q9NZ45 2/20 0.74
MAOA P21397 1/20 0.74
KMT2A Q03164 5/20 0.73
MEN1 O00255 3/20 0.73
AKR1B1 P15121 3/20 0.73
NPC1 O15118 2/20 0.73
KLKB1 P03952 1/20 0.70
POLB P06746 1/20 0.70
CTDSP1 Q9GZU7 1/20 0.70
KDM4E B2RXH2 1/20 0.69
HTT P42858 1/20 0.69
PTPN1 P18031 1/20 0.69
DDX3X O00571 1/20 0.67

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
SCHEMBL12008788 0.93 MAPT (0.87) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL12008809 0.90 MAPT (0.82) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL12008663 0.90 MAPT (0.81) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL29408646 0.90 MAPT (0.81) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL19736098 0.90 MAPT (0.81) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL12008749 0.89 MAPT (1.00) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL12008670 0.88 MAPT (0.79) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL1279034 0.88 TAS2R14 (1.00) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL1279032 0.88 TAS2R14 (1.00) MAPTNCOA3ALDH1A1MITFRAB9A
SCHEMBL1279037 0.88 TAS2R14 (1.00) MAPTNCOA3ALDH1A1MITFRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 US disclosed
US-9433611-B2 Oxazole and thiazole compounds as β-catenin modulators and uses thereof NEW YORK UNIVERSITY (US) 2016-09-06 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-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
WO-2009097113-A2 OXAZOLE AND THIAZOLE COMPOUNDS AS B-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2009-08-06 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 (3 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 MAPT 2143/4885NCOA3 547/4885ALDH1A1 935/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885ALDH1A1 413/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885ALDH1A1 413/4885

“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.