SCHEMBL12008473

SCHEMBL12008473

C=CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.88
▸ NCOA3 Q9Y6Q9 3/20 0.88
▸ MITF O75030 2/20 0.88
▸ KMT2A Q03164 2/20 0.88
▸ MEN1 O00255 1/20 0.88
▸ NPC1 O15118 1/20 0.88
▸ FFAR1 O14842 2/20 0.69
▸ AKR1B1 P15121 6/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ KDM4E B2RXH2 3/20 0.66
▸ ALDH1A1 P00352 1/20 0.64
▸ PTPN1 P18031 2/20 0.63
▸ PTPN2 P17706 1/20 0.63
▸ CTNNB1 P35222 2/20 0.62
▸ TCF4 P15884 1/20 0.62
▸ LMNA P02545 1/20 0.60
▸ THRB P10828 1/20 0.60
▸ CISD1 Q9NZ45 2/20 0.59
▸ MAOA P21397 1/20 0.59
▸ CRHBP P24387 1/20 0.59

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
SCHEMBL12008472 0.94 MAPT (1.00) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008792 0.88 MAPT (0.88) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008492 0.86 AKR1B1 (0.74) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008788 0.85 MAPT (0.87) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008459 0.85 AKR1B1 (0.78) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008470 0.84 AKR1B1 (0.72) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008715 0.82 FFAR1 (0.80) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008739 0.82 FFAR1 (0.80) MAPTNCOA3KMT2AMEN1FFAR1
SCHEMBL12008729 0.82 FFAR1 (0.73) MAPTNCOA3MITFKMT2AMEN1
SCHEMBL12008520 0.82 MAPT (0.66) MAPTNCOA3MITFKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 547/4885MITF 240/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885MITF 139/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885MITF 139/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885MITF 139/4885

“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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