SCHEMBL12008799

SCHEMBL12008799

COC(=O)c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.76
▸ NCOA3 Q9Y6Q9 3/20 0.76
▸ ALDH1A1 P00352 2/20 0.76
▸ CISD1 Q9NZ45 2/20 0.71
▸ MAOA P21397 1/20 0.71
▸ MITF O75030 2/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ KMT2A Q03164 5/20 0.67
▸ HTT P42858 2/20 0.67
▸ CACNA1B Q00975 1/20 0.67
▸ APBA1 Q02410 1/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ TAS2R14 Q9NYV8 1/20 0.66
▸ KLKB1 P03952 1/20 0.65
▸ AKR1B1 P15121 2/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ POLB P06746 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.62
▸ FFAR1 O14842 1/20 0.61

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
SCHEMBL12008558 0.94 CACNA1B (0.73) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL13446895 0.89 MAPT (0.59) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL12008574 0.87 CISD1 (0.79) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL12008758 0.86 MAPT (1.00) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL12008740 0.85 MYC (0.83) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL14905165 0.85 CISD1 (0.79) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL12008748 0.85 CISD1 (0.79) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL18420883 0.83 CISD1 (0.81) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL12008493 0.83 CISD1 (0.81) MAPTNCOA3ALDH1A1CISD1MAOA
SCHEMBL15709015 0.83 CISD1 (0.81) MAPTNCOA3ALDH1A1CISD1MAOA

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 10 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-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-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 (3 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-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885ALDH1A1 413/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885ALDH1A1 413/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885NCOA3 300/4885ALDH1A1 413/4885

“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