SCHEMBL12008724

SCHEMBL12008724

O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.77
▸ USP2 O75604 1/20 0.77
▸ NSD2 O96028 1/20 0.77
▸ ALPG P10696 1/20 0.77
▸ KMT2A Q03164 11/20 0.75
▸ MEN1 O00255 10/20 0.75
▸ MAPT P10636 6/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.75
▸ MAPK1 P28482 3/20 0.75
▸ HTT P42858 3/20 0.75
▸ L3MBTL1 Q9Y468 3/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ LMNA P02545 2/20 0.75
▸ TDP1 Q9NUW8 1/20 0.75
▸ GAA P10253 1/20 0.75
▸ ATM Q13315 1/20 0.75
▸ PKM P14618 1/20 0.74
▸ PTPN12 Q05209 3/20 0.73
▸ GPR35 Q9HC97 3/20 0.73
▸ PTPN22 Q9Y2R2 3/20 0.73

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
SCHEMBL12008714 0.94 KMT2A (0.76) POLBUSP2NSD2ALPGKMT2A
SCHEMBL12008763 0.91 KMT2A (0.88) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12008465 0.89 POLB (0.71) POLBUSP2NSD2ALPGKMT2A
SCHEMBL12008919 0.88 MEN1 (0.74) POLBUSP2NSD2ALPGKMT2A
SCHEMBL12008719 0.86 KMT2A (0.70) POLBUSP2NSD2ALPGKMT2A
SCHEMBL12008573 0.84 KMT2A (0.82) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12008601 0.84 KMT2A (0.83) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12008786 0.84 KMT2A (1.00) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12008712 0.84 PTPN12 (0.86) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL12008709 0.84 PTPN12 (1.00) POLBUSP2NSD2ALPGKMT2A

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 POLB 2397/4885USP2 4121/4885NSD2 3261/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885USP2 4060/4885NSD2 3889/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885USP2 4060/4885NSD2 3889/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 POLB 2088/4885USP2 4060/4885NSD2 3889/4885

“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