SCHEMBL12008584

SCHEMBL12008584

O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.87
▸ KMT2A Q03164 10/20 0.87
▸ POLB P06746 9/20 0.68
▸ DDX3X O00571 4/20 0.67
▸ ALDH1A1 P00352 1/20 0.66
▸ MAPT P10636 1/20 0.66
▸ PTPN12 Q05209 1/20 0.61
▸ GPR35 Q9HC97 1/20 0.61
▸ PTPN22 Q9Y2R2 1/20 0.61
▸ ALPL P05186 2/20 0.61
▸ ALPI P09923 2/20 0.61
▸ ALPG P10696 2/20 0.61
▸ TDP1 Q9NUW8 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ NSD2 O96028 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ UBA2 Q9UBT2 1/20 0.61
▸ GFER P55789 1/20 0.59
▸ MCL1 Q07820 1/20 0.58
▸ PKM P14618 1/20 0.57

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
SCHEMBL12008586 0.93 MEN1 (1.00) MEN1KMT2APOLBDDX3XALDH1A1
SCHEMBL12008781 0.90 MEN1 (0.73) MEN1KMT2APOLBDDX3XALDH1A1
SCHEMBL12008722 0.88 PTPN12 (0.77) MEN1KMT2APOLBDDX3XALDH1A1
SCHEMBL12008612 0.87 MEN1 (0.88) MEN1KMT2APOLBDDX3XALDH1A1
SCHEMBL12008583 0.87 KMT2A (0.77) MEN1KMT2APOLBDDX3XALDH1A1
SCHEMBL12008721 0.86 KMT2A (0.73) MEN1KMT2APOLBDDX3XALDH1A1
SCHEMBL12008582 0.86 KMT2A (0.75) MEN1KMT2APOLBDDX3XMAPT
SCHEMBL12008495 0.85 MEN1 (0.74) MEN1KMT2APOLBDDX3XALPL
SCHEMBL12008581 0.85 KMT2A (0.80) MEN1KMT2APOLBDDX3XMAPT
SCHEMBL12008838 0.84 MEN1 (0.90) MEN1KMT2APOLBALDH1A1MAPT

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 MEN1 3747/4885KMT2A 4503/4885POLB 2397/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885POLB 2088/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885POLB 2088/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MEN1 4655/4885KMT2A 4591/4885POLB 2088/4885

“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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