SCHEMBL12008712

SCHEMBL12008712

O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 8/20 0.86
▸ GPR35 Q9HC97 8/20 0.86
▸ PTPN22 Q9Y2R2 7/20 0.86
▸ KMT2A Q03164 11/20 0.79
▸ MEN1 O00255 9/20 0.79
▸ MAPT P10636 9/20 0.79
▸ ALDH1A1 P00352 5/20 0.79
▸ POLB P06746 3/20 0.79
▸ SMN1; SMN2 Q16637 5/20 0.76
▸ MAPK1 P28482 5/20 0.76
▸ HTT P42858 3/20 0.76
▸ L3MBTL1 Q9Y468 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ TDP1 Q9NUW8 2/20 0.76
▸ GAA P10253 1/20 0.76
▸ ATM Q13315 1/20 0.76
▸ PKM P14618 1/20 0.75
▸ PTPN7 P35236 6/20 0.75
▸ GPR55 Q9Y2T6 2/20 0.74
▸ TP53 P04637 1/20 0.68

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
SCHEMBL12008722 0.94 PTPN12 (0.77) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008709 0.93 PTPN12 (1.00) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008969 0.89 MEN1 (1.00) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008726 0.87 PTPN12 (0.90) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008620 0.87 GPR35 (0.88) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008607 0.86 KMT2A (0.75) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008721 0.86 KMT2A (0.73) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008621 0.86 KMT2A (0.75) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008422 0.86 MEN1 (1.00) PTPN12GPR35PTPN22KMT2AMEN1
SCHEMBL12008764 0.85 KMT2A (1.00) PTPN12GPR35PTPN22KMT2AMEN1

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 PTPN12 226/4885GPR35 302/4885PTPN22 374/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885GPR35 299/4885PTPN22 534/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885GPR35 299/4885PTPN22 534/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885GPR35 299/4885PTPN22 534/4885

“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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