SCHEMBL12008889

SCHEMBL12008889

O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 13/20 0.89
▸ KMT2A Q03164 13/20 0.89
▸ MAPT P10636 8/20 0.77
▸ MAPK1 P28482 3/20 0.77
▸ HTT P42858 1/20 0.77
▸ SMN1; SMN2 Q16637 1/20 0.77
▸ GPR55 Q9Y2T6 2/20 0.75
▸ NPC1 O15118 1/20 0.75
▸ ALDH1A1 P00352 4/20 0.74
▸ POLB P06746 4/20 0.74
▸ LMNA P02545 2/20 0.74
▸ L3MBTL1 Q9Y468 2/20 0.74
▸ TDP1 Q9NUW8 1/20 0.71
▸ FFAR1 O14842 1/20 0.68
▸ GAA P10253 1/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ RAB9A P51151 1/20 0.66

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
SCHEMBL12008988 0.94 MEN1 (1.00) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL12008909 0.90 MEN1 (0.72) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL12008940 0.90 MEN1 (0.72) MEN1KMT2AMAPTMAPK1GPR55
SCHEMBL12008939 0.90 MEN1 (0.73) MEN1KMT2AMAPTMAPK1GPR55
SCHEMBL12008905 0.89 KMT2A (0.73) MEN1KMT2AMAPTMAPK1GPR55
SCHEMBL12008944 0.89 MEN1 (0.70) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL12008902 0.88 MEN1 (0.76) MEN1KMT2AMAPTMAPK1GPR55
SCHEMBL14905164 0.88 MEN1 (0.76) MEN1KMT2AMAPTMAPK1GPR55
SCHEMBL12008874 0.87 MEN1 (0.85) MEN1KMT2AMAPTMAPK1HTT
SCHEMBL12008995 0.87 MEN1 (0.75) MEN1KMT2AMAPTMAPK1SMN1; SMN2

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 MEN1 3747/4885KMT2A 4503/4885MAPT 2143/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885MAPT 1929/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885MAPT 1929/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885MAPT 1929/4885

“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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