SCHEMBL12008937

SCHEMBL12008937

O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 6/20 0.90
▸ MEN1 O00255 12/20 0.87
▸ KMT2A Q03164 12/20 0.87
▸ MAPT P10636 6/20 0.87
▸ ALDH1A1 P00352 3/20 0.87
▸ PTPN12 Q05209 4/20 0.79
▸ GPR35 Q9HC97 4/20 0.79
▸ PTPN22 Q9Y2R2 4/20 0.79
▸ GPR55 Q9Y2T6 2/20 0.76
▸ NPC1 O15118 1/20 0.76
▸ RAB9A P51151 2/20 0.75
▸ GAA P10253 1/20 0.75
▸ KDM4E B2RXH2 1/20 0.75
▸ PTPN7 P35236 3/20 0.69
▸ PSMD14 O00487 1/20 0.69
▸ TP53 P04637 1/20 0.68
▸ HPGD P15428 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ GLP1R P43220 1/20 0.68
▸ MCL1 Q07820 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
SCHEMBL12008921 0.95 POLB (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008969 0.93 MEN1 (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008709 0.89 PTPN12 (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008838 0.88 MEN1 (0.90) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008882 0.87 KMT2A (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008832 0.86 MEN1 (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008874 0.86 MEN1 (0.85) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12009006 0.86 KMT2A (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008986 0.86 MEN1 (1.00) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL12008919 0.85 MEN1 (0.74) POLBMEN1KMT2AMAPTALDH1A1

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

“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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