SCHEMBL11918202

SCHEMBL11918202

COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3C(=O)O)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 1.00
▸ MEN1 O00255 11/20 1.00
▸ POLB P06746 5/20 0.84
▸ CTDSP1 Q9GZU7 3/20 0.84
▸ RAB9A P51151 2/20 0.84
▸ BLM P54132 1/20 0.84
▸ DDX3X O00571 3/20 0.80
▸ TNNI3 P19429 1/20 0.73
▸ TNNT2 P45379 1/20 0.73
▸ TNNC1 P63316 1/20 0.73
▸ NPC1 O15118 2/20 0.71
▸ MAPT P10636 5/20 0.68
▸ ALDH1A1 P00352 2/20 0.68
▸ GFER P55789 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ PLA2G1B P04054 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ ATG4B Q9Y4P1 1/20 0.68
▸ NCOA3 Q9Y6Q9 1/20 0.68
▸ MITF O75030 1/20 0.65

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
SCHEMBL12008419 0.95 KMT2A (1.00) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL12008753 0.91 KMT2A (1.00) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL18539144 0.91 KMT2A (0.83) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL12008573 0.91 KMT2A (0.82) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL12008782 0.90 KMT2A (0.90) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL12008600 0.90 TNNI3 (0.90) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL17319546 0.88 POLB (0.90) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL12008587 0.88 POLB (0.90) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL12008603 0.88 KMT2A (0.79) KMT2AMEN1POLBCTDSP1RAB9A
SCHEMBL12008578 0.86 KMT2A (0.84) KMT2AMEN1POLBCTDSP1RAB9A

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-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-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 — — US disclosed
WO-2011039735-A2 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2011-04-07 — — WO 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 KMT2A 4503/4885MEN1 3747/4885POLB 2397/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885POLB 2088/4885
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF DDX3X, DDX21, DDX39B KMT2A 2610/4885MEN1 1855/4885POLB 658/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885POLB 2088/4885

“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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