SCHEMBL12008729

SCHEMBL12008729

O=C(O)CCCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2)SC1=S

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 3/20 0.73
▸ MAPT P10636 7/20 0.67
▸ KDM4E B2RXH2 5/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ NCOA3 Q9Y6Q9 3/20 0.66
▸ ALDH1A1 P00352 2/20 0.66
▸ AKR1B1 P15121 4/20 0.64
▸ MITF O75030 2/20 0.63
▸ RAB9A P51151 1/20 0.63
▸ CTNNB1 P35222 2/20 0.63
▸ TCF4 P15884 1/20 0.63
▸ LMNA P02545 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ CISD1 Q9NZ45 2/20 0.60
▸ MAOA P21397 1/20 0.60
▸ PTPN1 P18031 2/20 0.59
▸ PTPN2 P17706 1/20 0.59
▸ HTT P42858 1/20 0.57

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
SCHEMBL12008427 0.94 MAPT (0.74) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL12008788 0.86 MAPT (0.87) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL12008767 0.85 FFAR1 (1.00) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL12008792 0.84 MAPT (0.88) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL12008739 0.83 FFAR1 (0.80) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL12008715 0.83 FFAR1 (0.80) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL12008800 0.83 CISD1 (0.85) FFAR1MAPTKDM4EKMT2AALDH1A1
SCHEMBL6887096 0.83 MAPT (0.78) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL6887099 0.83 MAPT (0.78) FFAR1MAPTKDM4EKMT2ANCOA3
SCHEMBL12008492 0.82 AKR1B1 (0.74) FFAR1MAPTKDM4EKMT2ANCOA3

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 3561/4885MAPT 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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