SCHEMBL12008720

SCHEMBL12008720

O=C(O)CCN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP4 P15090 1/20 0.74
▸ CISD1 Q9NZ45 2/20 0.72
▸ MAOA P21397 1/20 0.72
▸ KMT2A Q03164 5/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ POLB P06746 1/20 0.68
▸ HSP90AA1 P07900 1/20 0.68
▸ GAA P10253 1/20 0.68
▸ CASP3 P42574 1/20 0.68
▸ SENP8 Q96LD8 1/20 0.68
▸ SENP7 Q9BQF6 1/20 0.68
▸ SENP6 Q9GZR1 1/20 0.68
▸ KDM4E B2RXH2 1/20 0.67
▸ HTT P42858 1/20 0.67
▸ MAPT P10636 3/20 0.67
▸ NCOA3 Q9Y6Q9 3/20 0.67
▸ ALDH1A1 P00352 1/20 0.67
▸ KLKB1 P03952 1/20 0.66
▸ MITF O75030 2/20 0.64
▸ RAB9A P51151 1/20 0.64

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
SCHEMBL12008717 0.93 FFAR1 (0.72) FABP4CISD1MAOAKMT2AMEN1
SCHEMBL14905172 0.90 FABP4 (0.73) FABP4CISD1MAOAKMT2AMEN1
SCHEMBL6884108 0.88 CISD1 (0.71) FABP4CISD1MAOAKMT2AMEN1
SCHEMBL3764675 0.88 KMT2A (0.71) KMT2AMEN1POLBHSP90AA1GAA
SCHEMBL3764677 0.88 KMT2A (0.71) KMT2AMEN1POLBHSP90AA1GAA
SCHEMBL6884111 0.88 CISD1 (0.71) FABP4CISD1MAOAKMT2AMEN1
SCHEMBL12008489 0.87 FABP4 (0.81) FABP4CISD1MAOAKMT2AMEN1
SCHEMBL18420883 0.86 CISD1 (0.81) FABP4CISD1MAOAKMT2AMEN1
SCHEMBL12008493 0.86 CISD1 (0.81) FABP4CISD1MAOAKMT2AMEN1
SCHEMBL15709015 0.86 CISD1 (0.81) FABP4CISD1MAOAKMT2AMEN1

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 FABP4 1871/4885CISD1 2475/4885MAOA 4320/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FABP4 1744/4885CISD1 2618/4885MAOA 3935/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FABP4 1744/4885CISD1 2618/4885MAOA 3935/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FABP4 1744/4885CISD1 2618/4885MAOA 3935/4885

“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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