SCHEMBL13446842

SCHEMBL13446842

COc1ccccc1/C=C1\SC(=S)N(CCCC(=O)O)C1=O

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.76
▸ CTNNB1 P35222 3/20 0.73
▸ TCF7L2 Q9NQB0 1/20 0.73
▸ TCF4 P15884 1/20 0.70
▸ MEN1 O00255 7/20 0.67
▸ KMT2A Q03164 7/20 0.67
▸ TAS2R14 Q9NYV8 1/20 0.67
▸ PPARG P37231 1/20 0.64
▸ FFAR1 O14842 4/20 0.64
▸ ALDH1A1 P00352 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ APEX1 P27695 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ TDP1 Q9NUW8 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ PKM P14618 1/20 0.62
▸ HIF1AN Q9NWT6 1/20 0.61

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
SCHEMBL12008756 0.94 CTNNB1 (0.82) POLBCTNNB1TCF7L2MEN1KMT2A
SCHEMBL12008468 0.91 CTNNB1 (0.72) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008548 0.91 CTNNB1 (0.89) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008455 0.90 POLB (0.80) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008456 0.87 POLB (1.00) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008553 0.87 TAS2R14 (0.75) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008789 0.87 TAS2R14 (0.89) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008463 0.86 CTNNB1 (0.74) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008514 0.86 POLB (0.77) POLBCTNNB1TCF7L2TCF4MEN1
SCHEMBL12008622 0.86 POLB (0.68) POLBCTNNB1TCF7L2TCF4MEN1

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 10 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

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

For each of this compound's patents that has machine-readable text (3 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 2397/4885CTNNB1 1/4885TCF7L2 17/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885CTNNB1 1/4885TCF7L2 12/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885CTNNB1 1/4885TCF7L2 12/4885

“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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