SCHEMBL12008971

SCHEMBL12008971

O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 9/20 0.65
▸ MEN1 O00255 8/20 0.65
▸ FFAR1 O14842 2/20 0.64
▸ MAPT P10636 6/20 0.64
▸ PKM P14618 2/20 0.64
▸ ALDH1A1 P00352 1/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ HTT P42858 1/20 0.64
▸ POLB P06746 3/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ PSMD14 O00487 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ NCOA1 Q15788 1/20 0.62
▸ NCOA3 Q9Y6Q9 1/20 0.62
▸ USP2 O75604 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ BLM P54132 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
SCHEMBL12008980 0.99 KMT2A (0.66) KMT2AMEN1FFAR1MAPTPKM
SCHEMBL12008894 0.94 FFAR1 (0.71) KMT2AMEN1FFAR1MAPTALDH1A1
SCHEMBL12008966 0.93 FFAR1 (0.70) KMT2AMEN1FFAR1MAPTALDH1A1
SCHEMBL12008926 0.87 KMT2A (0.75) KMT2AMEN1FFAR1MAPTPKM
SCHEMBL13746169 0.85 FFAR1 (0.66) KMT2AMEN1FFAR1MAPTALDH1A1
SCHEMBL18539174 0.84 NPC1 (0.57) KMT2AMEN1FFAR1MAPTALDH1A1
SCHEMBL13446943 0.83 KMT2A (0.72) KMT2AMEN1FFAR1MAPTPKM
SCHEMBL12008925 0.82 POLB (0.73) KMT2AMEN1FFAR1MAPTALDH1A1
SCHEMBL12008922 0.81 MEN1 (0.75) KMT2AMEN1FFAR1MAPTPKM
SCHEMBL12008950 0.81 FFAR1 (0.86) KMT2AMEN1FFAR1MAPTPKM

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-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-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 KMT2A 4503/4885MEN1 3747/4885FFAR1 3561/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885FFAR1 2541/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885FFAR1 2541/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885FFAR1 2541/4885

“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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