SCHEMBL12008457

SCHEMBL12008457

CC(C)(C)c1ccc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.74
▸ MAPT P10636 7/20 0.71
▸ KDM4E B2RXH2 5/20 0.71
▸ KMT2A Q03164 5/20 0.71
▸ CTNNB1 P35222 2/20 0.66
▸ TCF4 P15884 1/20 0.66
▸ LMNA P02545 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ CISD1 Q9NZ45 2/20 0.64
▸ MAOA P21397 1/20 0.64
▸ NCOA3 Q9Y6Q9 4/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ RAB9A P51151 2/20 0.61
▸ MITF O75030 2/20 0.61
▸ HTT P42858 1/20 0.60
▸ MEN1 O00255 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ APEX1 P27695 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ TDP1 Q9NUW8 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
SCHEMBL15400060 0.93 CISD1 (0.74) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL12008437 0.93 CISD1 (0.74) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL15400058 0.93 CISD1 (0.74) FFAR1MAPTKDM4EKMT2ALMNA
SCHEMBL12008554 0.89 FFAR1 (0.78) FFAR1MAPTKDM4EKMT2ACTNNB1
SCHEMBL12008761 0.87 FFAR1 (0.79) FFAR1MAPTKDM4EKMT2ACTNNB1
SCHEMBL7958261 0.86 MAPT (0.72) FFAR1MAPTKDM4EKMT2ACISD1
SCHEMBL7958266 0.86 MAPT (0.72) FFAR1MAPTKDM4EKMT2ACISD1
SCHEMBL12008739 0.86 FFAR1 (0.80) FFAR1MAPTKDM4EKMT2ACTNNB1
SCHEMBL12008715 0.86 FFAR1 (0.80) FFAR1MAPTKDM4EKMT2ACTNNB1
SCHEMBL17319555 0.86 PTPN12 (0.72) KMT2AMEN1L3MBTL1AKR1B1

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-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-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 3561/4885MAPT 2143/4885KDM4E 3752/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885MAPT 1929/4885KDM4E 3915/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885MAPT 1929/4885KDM4E 3915/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885MAPT 1929/4885KDM4E 3915/4885

“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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