SCHEMBL12008600

SCHEMBL12008600

COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1OC

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNNI3 P19429 1/20 0.90
▸ TNNT2 P45379 1/20 0.90
▸ TNNC1 P63316 1/20 0.90
▸ KMT2A Q03164 10/20 0.81
▸ MEN1 O00255 9/20 0.81
▸ POLB P06746 4/20 0.73
▸ RAB9A P51151 1/20 0.73
▸ BLM P54132 1/20 0.73
▸ CTDSP1 Q9GZU7 1/20 0.73
▸ PTPN7 P35236 2/20 0.73
▸ PTPN12 Q05209 2/20 0.73
▸ PTPN22 Q9Y2R2 2/20 0.73
▸ APAF1 O14727 1/20 0.73
▸ CACNA1B Q00975 1/20 0.73
▸ APBA1 Q02410 1/20 0.73
▸ NPC1 O15118 1/20 0.71
▸ DDX3X O00571 4/20 0.70
▸ ALDH1A1 P00352 1/20 0.67
▸ PSMD14 O00487 1/20 0.67
▸ GPR35 Q9HC97 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
SCHEMBL12008613 0.95 TNNI3 (1.00) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL11918202 0.90 KMT2A (1.00) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL12008608 0.88 KMT2A (0.76) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL12008573 0.87 KMT2A (0.82) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL12008782 0.87 KMT2A (0.90) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL12008587 0.85 POLB (0.90) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL17319546 0.85 POLB (0.90) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL12008603 0.85 KMT2A (0.79) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL12008599 0.85 PTPN12 (0.91) TNNI3TNNT2TNNC1KMT2AMEN1
SCHEMBL12008597 0.85 PTPN12 (0.79) TNNI3TNNT2TNNC1KMT2AMEN1

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 12 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-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-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 TNNI3 3243/4885TNNT2 2669/4885TNNC1 3327/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 TNNI3 2840/4885TNNT2 2198/4885TNNC1 2472/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TNNI3 2840/4885TNNT2 2198/4885TNNC1 2472/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 TNNI3 2840/4885TNNT2 2198/4885TNNC1 2472/4885

“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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