SCHEMBL12008597

SCHEMBL12008597

COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1OC

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN12 Q05209 3/20 0.79
▸ PTPN22 Q9Y2R2 3/20 0.79
▸ PSMD14 O00487 3/20 0.79
▸ PTPN7 P35236 2/20 0.79
▸ GPR35 Q9HC97 2/20 0.79
▸ MEN1 O00255 9/20 0.79
▸ KMT2A Q03164 9/20 0.79
▸ POLB P06746 4/20 0.79
▸ APAF1 O14727 1/20 0.79
▸ CACNA1B Q00975 1/20 0.79
▸ APBA1 Q02410 1/20 0.79
▸ TDP1 Q9NUW8 1/20 0.71
▸ CTDSP1 Q9GZU7 1/20 0.67
▸ TNNI3 P19429 1/20 0.67
▸ TNNT2 P45379 1/20 0.67
▸ TNNC1 P63316 1/20 0.67
▸ ALDH1A1 P00352 1/20 0.65
▸ MAPT P10636 1/20 0.64
▸ NPC1 O15118 1/20 0.64
▸ CTNNB1 P35222 2/20 0.64

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
SCHEMBL12008599 0.93 PTPN12 (0.91) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008621 0.88 KMT2A (0.75) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008596 0.88 KMT2A (1.00) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008612 0.88 MEN1 (0.88) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008722 0.87 PTPN12 (0.77) PTPN12PTPN22PTPN7GPR35MEN1
SCHEMBL12008588 0.86 KMT2A (0.76) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008721 0.86 KMT2A (0.73) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008607 0.86 KMT2A (0.75) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008754 0.86 KMT2A (0.77) PTPN12PTPN22PSMD14PTPN7GPR35
SCHEMBL12008598 0.86 KMT2A (1.00) PTPN12PTPN22PSMD14PTPN7GPR35

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-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-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 PTPN12 226/4885PTPN22 374/4885PSMD14 1726/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885PTPN22 534/4885PSMD14 1902/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885PTPN22 534/4885PSMD14 1902/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 PTPN12 457/4885PTPN22 534/4885PSMD14 1902/4885

“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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