SCHEMBL12008950

SCHEMBL12008950

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

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.86
▸ CISD1 Q9NZ45 2/20 0.71
▸ MAOA P21397 1/20 0.71
▸ KMT2A Q03164 12/20 0.71
▸ MEN1 O00255 10/20 0.69
▸ POLB P06746 2/20 0.69
▸ HTT P42858 2/20 0.67
▸ KDM4E B2RXH2 1/20 0.67
▸ MAPT P10636 7/20 0.64
▸ PKM P14618 2/20 0.64
▸ PSMD14 O00487 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ LMNA P02545 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.63
▸ HSP90AA1 P07900 1/20 0.63
▸ USP2 O75604 1/20 0.63
▸ GAA P10253 1/20 0.63
▸ RECQL P46063 1/20 0.63
▸ BLM P54132 1/20 0.63

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
SCHEMBL12006896 0.93 FFAR1 (1.00) FFAR1KMT2AMEN1POLBHTT
SCHEMBL19420154 0.91 FFAR1 (1.00) FFAR1KMT2AMEN1POLBKDM4E
SCHEMBL18545589 0.89 FFAR1 (0.73) FFAR1KMT2AMEN1POLBHTT
SCHEMBL6885407 0.87 FFAR1 (0.74) FFAR1KMT2AMEN1POLBKDM4E
SCHEMBL10464668 0.87 FFAR1 (0.74) FFAR1KMT2AMEN1POLBKDM4E
SCHEMBL29518358 0.87 FFAR1 (0.67) FFAR1CISD1MAOAKMT2AMEN1
SCHEMBL6885409 0.87 FFAR1 (0.74) FFAR1KMT2AMEN1POLBKDM4E
SCHEMBL12008952 0.87 FFAR1 (0.70) FFAR1KMT2AMEN1POLBHTT
SCHEMBL13446943 0.86 KMT2A (0.72) FFAR1KMT2AMEN1POLBHTT
SCHEMBL6879828 0.86 FFAR1 (0.65) FFAR1CISD1MAOAKMT2AMEN1

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 FFAR1 3561/4885CISD1 2475/4885MAOA 4320/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885CISD1 2618/4885MAOA 3935/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885CISD1 2618/4885MAOA 3935/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 FFAR1 2541/4885CISD1 2618/4885MAOA 3935/4885

“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