SCHEMBL12008894

SCHEMBL12008894

O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NC1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.71
▸ NPC1 O15118 2/20 0.70
▸ RAB9A P51151 2/20 0.70
▸ NCOA1 Q15788 1/20 0.70
▸ NCOA3 Q9Y6Q9 1/20 0.70
▸ MEN1 O00255 8/20 0.66
▸ KMT2A Q03164 8/20 0.66
▸ GPR55 Q9Y2T6 2/20 0.66
▸ MAPT P10636 6/20 0.64
▸ POLB P06746 5/20 0.64
▸ ALDH1A1 P00352 3/20 0.64
▸ LMNA P02545 2/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ GAA P10253 1/20 0.61
▸ KDM4E B2RXH2 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
SCHEMBL12008966 0.99 FFAR1 (0.70) FFAR1NPC1RAB9ANCOA1NCOA3
SCHEMBL12008971 0.94 KMT2A (0.65) FFAR1NPC1RAB9ANCOA1NCOA3
SCHEMBL12008980 0.93 KMT2A (0.66) FFAR1NPC1RAB9ANCOA1NCOA3
SCHEMBL13746169 0.91 FFAR1 (0.66) FFAR1NPC1RAB9ANCOA1NCOA3
SCHEMBL18539174 0.90 NPC1 (0.57) FFAR1NPC1RAB9ANCOA1NCOA3
SCHEMBL12008925 0.87 POLB (0.73) FFAR1NPC1MEN1KMT2AGPR55
SCHEMBL12006896 0.83 FFAR1 (1.00) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL12008850 0.82 MEN1 (0.68) FFAR1NPC1MEN1KMT2AGPR55
SCHEMBL12008926 0.81 KMT2A (0.75) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL12009676 0.81 FFAR1 (0.83) FFAR1NPC1RAB9AMEN1KMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 3561/4885NPC1 1545/4885RAB9A 3368/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885NPC1 1604/4885RAB9A 3367/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885NPC1 1604/4885RAB9A 3367/4885

“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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