SCHEMBL12008898

SCHEMBL12008898

O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCN(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.68
▸ KMT2A Q03164 6/20 0.68
▸ ALDH1A1 P00352 5/20 0.67
▸ L3MBTL1 Q9Y468 3/20 0.65
▸ PKM P14618 1/20 0.60
▸ MEN1 O00255 5/20 0.57
▸ MAPT P10636 3/20 0.57
▸ GPR55 Q9Y2T6 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ POLB P06746 1/20 0.56

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
SCHEMBL12009002 0.89 KMT2A (0.74) FFAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL12008990 0.88 KMT2A (0.86) FFAR1KMT2AALDH1A1PKMMEN1
SCHEMBL12008972 0.88 PKM (0.73) FFAR1KMT2AALDH1A1PKMMEN1
SCHEMBL18539173 0.85 KMT2A (0.86) FFAR1KMT2AALDH1A1PKMMEN1
SCHEMBL12008938 0.84 KMT2A (0.67) FFAR1KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL12008991 0.84 KMT2A (0.69) FFAR1KMT2AALDH1A1PKMMEN1
SCHEMBL12008887 0.83 KMT2A (0.84) FFAR1KMT2AALDH1A1MEN1MAPT
SCHEMBL12008872 0.82 KMT2A (0.98) FFAR1KMT2AALDH1A1PKMMEN1
SCHEMBL12006896 0.82 FFAR1 (1.00) FFAR1KMT2AALDH1A1L3MBTL1MEN1
SCHEMBL12008871 0.82 KMT2A (0.81) FFAR1KMT2AALDH1A1PKMMEN1

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 15 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
WO-2009097113-A2 OXAZOLE AND THIAZOLE COMPOUNDS AS B-CATENIN MODULATORS AND USES THEREOF NEW YORK UNIVERSITY (US) 2009-08-06 — — WO 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 3561/4885KMT2A 4503/4885ALDH1A1 935/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885KMT2A 4591/4885ALDH1A1 413/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885KMT2A 4591/4885ALDH1A1 413/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885KMT2A 4591/4885ALDH1A1 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.

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