SCHEMBL12008631

SCHEMBL12008631

O=C(O)CCCN1C(=O)/C(=C/c2ccccc2F)SC1=S

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.69
▸ POLB P06746 4/20 0.68
▸ MAP3K5 Q99683 1/20 0.67
▸ KMT2A Q03164 6/20 0.63
▸ MEN1 O00255 5/20 0.63
▸ KDM4E B2RXH2 2/20 0.63
▸ MAPT P10636 2/20 0.63
▸ ALDH1A1 P00352 1/20 0.63
▸ APEX1 P27695 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ L3MBTL1 Q9Y468 1/20 0.63
▸ CISD1 Q9NZ45 2/20 0.62
▸ MAOA P21397 1/20 0.62
▸ CACNA1B Q00975 1/20 0.59
▸ APBA1 Q02410 1/20 0.59
▸ PLA2G1B P04054 1/20 0.59
▸ ATG4B Q9Y4P1 1/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 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
SCHEMBL12008434 0.93 CISD1 (0.72) FFAR1POLBMAP3K5KMT2AMEN1
SCHEMBL12008471 0.87 POLB (0.69) FFAR1POLBKMT2AMEN1KDM4E
SCHEMBL12008428 0.86 PLA2G1B (0.74) FFAR1POLBMAP3K5KDM4EMAPT
SCHEMBL12008622 0.86 POLB (0.68) FFAR1POLBKMT2AMEN1KDM4E
SCHEMBL12008568 0.86 POLB (0.68) FFAR1POLBKMT2AMEN1KDM4E
SCHEMBL12008453 0.86 POLB (0.68) FFAR1POLBMAP3K5KMT2AMEN1
SCHEMBL13446843 0.85 MEN1 (0.66) POLBMAP3K5KMT2AMEN1MAPT
SCHEMBL12008800 0.84 CISD1 (0.85) FFAR1POLBKMT2AMEN1KDM4E
SCHEMBL30919380 0.84 FFAR1 (0.92) FFAR1POLBMAP3K5KMT2AMEN1
SCHEMBL15708889 0.84 FFAR1 (0.92) FFAR1POLBMAP3K5KMT2AMEN1

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 3561/4885POLB 2397/4885MAP3K5 1190/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885POLB 2088/4885MAP3K5 1436/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885POLB 2088/4885MAP3K5 1436/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885POLB 2088/4885MAP3K5 1436/4885

“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.

Send feedback