SCHEMBL12008436

SCHEMBL12008436

CCCCCCCCOc1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 10/20 0.80
▸ MAPT P10636 3/20 0.79
▸ NCOA3 Q9Y6Q9 3/20 0.79
▸ MITF O75030 2/20 0.79
▸ RAB9A P51151 1/20 0.79
▸ PTPN1 P18031 4/20 0.76
▸ PTPN2 P17706 2/20 0.76
▸ ALDH1A1 P00352 1/20 0.72
▸ KMT2A Q03164 2/20 0.70
▸ MEN1 O00255 1/20 0.70
▸ NPC1 O15118 1/20 0.70
▸ CISD1 Q9NZ45 2/20 0.64
▸ MAOA P21397 1/20 0.64
▸ FABP4 P15090 1/20 0.61
▸ KDM4E B2RXH2 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ TAS2R14 Q9NYV8 1/20 0.60
▸ DNM1 Q05193 1/20 0.59
▸ FFAR1 O14842 1/20 0.59

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
SCHEMBL6881279 1.00 AKR1B1 (0.80) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL6887897 1.00 AKR1B1 (0.80) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL6887899 1.00 AKR1B1 (0.80) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL6881277 1.00 AKR1B1 (0.80) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL6885769 1.00 AKR1B1 (0.80) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL6885765 1.00 AKR1B1 (0.80) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL12008439 0.97 AKR1B1 (0.84) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL12008470 0.95 AKR1B1 (0.72) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL12008537 0.93 MAPT (0.84) AKR1B1MAPTNCOA3MITFRAB9A
SCHEMBL12008492 0.89 AKR1B1 (0.74) AKR1B1MAPTNCOA3MITFRAB9A

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 12 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

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 AKR1B1 1694/4885MAPT 2143/4885NCOA3 547/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 AKR1B1 1260/4885MAPT 1929/4885NCOA3 300/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 AKR1B1 1260/4885MAPT 1929/4885NCOA3 300/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 AKR1B1 1260/4885MAPT 1929/4885NCOA3 300/4885

“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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