SCHEMBL12008568

SCHEMBL12008568

O=C(O)CCCN1C(=O)/C(=C/c2ccccc2C(=O)O)SC1=S

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 5/20 0.68
▸ FFAR1 O14842 5/20 0.67
▸ KMT2A Q03164 7/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ MAPT P10636 5/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ RECQL P46063 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ APEX1 P27695 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ CISD1 Q9NZ45 2/20 0.62
▸ MAOA P21397 1/20 0.62
▸ LMNA P02545 2/20 0.60
▸ THRB P10828 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ GFER P55789 1/20 0.59
▸ PLA2G1B P04054 2/20 0.59
▸ ATG4B Q9Y4P1 2/20 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
SCHEMBL12008575 0.93 CISD1 (0.72) POLBFFAR1KMT2AMEN1MAPT
SCHEMBL12008471 0.87 POLB (0.69) POLBFFAR1KMT2AMEN1MAPT
SCHEMBL12008453 0.86 POLB (0.68) POLBFFAR1KMT2AMEN1MAPT
SCHEMBL12008631 0.86 FFAR1 (0.69) POLBFFAR1KMT2AMEN1MAPT
SCHEMBL12008428 0.86 PLA2G1B (0.74) POLBFFAR1MAPTKDM4EALDH1A1
SCHEMBL12008622 0.86 POLB (0.68) POLBFFAR1KMT2AMEN1MAPT
SCHEMBL10492250 0.86 PTPN12 (0.62) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL10492244 0.86 PTPN12 (0.62) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL12008800 0.84 CISD1 (0.85) POLBFFAR1KMT2AMEN1MAPT
SCHEMBL15708889 0.84 FFAR1 (0.92) POLBFFAR1KMT2AMEN1MAPT

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 POLB 2397/4885FFAR1 3561/4885KMT2A 4503/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885FFAR1 2541/4885KMT2A 4591/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885FFAR1 2541/4885KMT2A 4591/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885FFAR1 2541/4885KMT2A 4591/4885

“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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