SCHEMBL12008754

SCHEMBL12008754

CCOc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(O)c(C(=O)O)c3)C2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 15/20 0.77
▸ MEN1 O00255 14/20 0.77
▸ CTDSP1 Q9GZU7 5/20 0.77
▸ TDP1 Q9NUW8 3/20 0.77
▸ SAE1 Q9UBE0 2/20 0.77
▸ UBA2 Q9UBT2 2/20 0.77
▸ CACNA1B Q00975 2/20 0.77
▸ APBA1 Q02410 2/20 0.77
▸ RAB9A P51151 3/20 0.75
▸ POLB P06746 7/20 0.72
▸ BLM P54132 2/20 0.72
▸ MAPT P10636 2/20 0.66
▸ MITF O75030 1/20 0.66
▸ NCOA3 Q9Y6Q9 1/20 0.66
▸ NPC1 O15118 2/20 0.64
▸ DDX3X O00571 1/20 0.62
▸ PTPN12 Q05209 3/20 0.61
▸ PTPN22 Q9Y2R2 3/20 0.61
▸ GPR35 Q9HC97 2/20 0.61
▸ FABP4 P15090 1/20 0.61

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
SCHEMBL12008588 0.89 KMT2A (0.76) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008621 0.89 KMT2A (0.75) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008722 0.88 PTPN12 (0.77) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008721 0.87 KMT2A (0.73) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008607 0.87 KMT2A (0.75) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008595 0.87 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008594 0.86 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008597 0.86 PTPN12 (0.79) KMT2AMEN1CTDSP1TDP1CACNA1B
SCHEMBL13446884 0.84 RAB9A (0.67) KMT2AMEN1CTDSP1TDP1SAE1
SCHEMBL12008753 0.84 KMT2A (1.00) KMT2AMEN1CTDSP1TDP1SAE1

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 10 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-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-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 (3 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-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885CTDSP1 2910/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885CTDSP1 2910/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885CTDSP1 2910/4885

“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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