SCHEMBL12008751

SCHEMBL12008751

O=C(CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S)Nc1cccc(C(=O)O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 2/20 0.80
▸ KMT2A Q03164 15/20 0.77
▸ MEN1 O00255 13/20 0.77
▸ CTDSP1 Q9GZU7 5/20 0.77
▸ BLM P54132 1/20 0.77
▸ PTPN12 Q05209 3/20 0.77
▸ GPR35 Q9HC97 3/20 0.77
▸ PTPN22 Q9Y2R2 3/20 0.77
▸ PTPN7 P35236 2/20 0.77
▸ GPR55 Q9Y2T6 2/20 0.77
▸ POLB P06746 8/20 0.75
▸ TDP1 Q9NUW8 3/20 0.75
▸ NPC1 O15118 3/20 0.75
▸ MAPT P10636 5/20 0.73
▸ RAB9A P51151 3/20 0.72
▸ PSMD14 O00487 2/20 0.70
▸ MMP2 P08253 1/20 0.70
▸ HTT P42858 2/20 0.66
▸ PAX8 Q06710 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66

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
SCHEMBL12008572 0.93 KMT2A (0.89) KMT2AMEN1CTDSP1BLMPTPN12
SCHEMBL12008752 0.92 KMT2A (0.82) DDX3XKMT2AMEN1CTDSP1BLM
SCHEMBL11913683 0.89 DDX3X (1.00) DDX3XKMT2AMEN1POLBNPC1
SCHEMBL12008778 0.87 KMT2A (0.90) KMT2AMEN1CTDSP1BLMPTPN12
SCHEMBL17319549 0.87 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPTPN12
SCHEMBL12008604 0.87 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPTPN12
SCHEMBL12008764 0.87 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPTPN12
SCHEMBL11913684 0.86 DDX3X (0.84) DDX3XKMT2AMEN1GPR35POLB
SCHEMBL12008592 0.86 KMT2A (1.00) KMT2AMEN1CTDSP1BLMPTPN12
SCHEMBL17319558 0.85 DDX3X (0.74) DDX3XKMT2AMEN1CTDSP1BLM

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 15 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-9206412-B2 Thioxothiazolidine inhibitors COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-12-08 — — 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 DDX3X 2261/4885KMT2A 4503/4885MEN1 3747/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 DDX3X 2359/4885KMT2A 4591/4885MEN1 4655/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 DDX3X 2359/4885KMT2A 4591/4885MEN1 4655/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 DDX3X 2359/4885KMT2A 4591/4885MEN1 4655/4885

“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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