SCHEMBL12008731

SCHEMBL12008731

O=C(O)CCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.71
▸ CTNNB1 P35222 2/20 0.69
▸ TCF4 P15884 1/20 0.69
▸ KDM4E B2RXH2 5/20 0.67
▸ MAPT P10636 5/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ LMNA P02545 1/20 0.62
▸ THRB P10828 1/20 0.62
▸ MAP3K5 Q99683 3/20 0.61
▸ CISD1 Q9NZ45 2/20 0.61
▸ MAOA P21397 1/20 0.61
▸ POLB P06746 3/20 0.60
▸ PSMD14 O00487 1/20 0.60
▸ PLEC Q15149 1/20 0.60
▸ MEN1 O00255 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL12008490 0.93 CISD1 (0.70) FFAR1CTNNB1TCF4KDM4EMAPT
SCHEMBL20837918 0.88 KMT2A (0.65) FFAR1CTNNB1TCF4KDM4EMAPT
SCHEMBL12008435 0.87 FFAR1 (0.79) FFAR1CTNNB1TCF4KDM4EMAPT
SCHEMBL18837955 0.86 ADAMTS5 (0.74) KMT2APOLBMEN1ADAMTS5
SCHEMBL18837956 0.86 ADAMTS5 (0.74) KMT2APOLBMEN1ADAMTS5
SCHEMBL12008717 0.85 FFAR1 (0.72) FFAR1CTNNB1TCF4KDM4EMAPT
SCHEMBL13446522 0.84 CTNNB1 (0.72) FFAR1CTNNB1TCF4KDM4EMAPT
SCHEMBL12008739 0.84 FFAR1 (0.80) FFAR1CTNNB1TCF4KDM4EMAPT
SCHEMBL12008715 0.84 FFAR1 (0.80) FFAR1CTNNB1TCF4KDM4EMAPT
SCHEMBL12008800 0.83 CISD1 (0.85) FFAR1CTNNB1TCF4KDM4EMAPT

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 FFAR1 3561/4885CTNNB1 1/4885TCF4 22/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885CTNNB1 1/4885TCF4 24/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885CTNNB1 1/4885TCF4 24/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885CTNNB1 1/4885TCF4 24/4885

“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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