SCHEMBL12008708

SCHEMBL12008708

O=C(O)CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2O)SC1=S

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.68
▸ MEN1 O00255 6/20 0.68
▸ POLB P06746 5/20 0.68
▸ BLM P54132 2/20 0.68
▸ PLG P00747 1/20 0.64
▸ MAP3K5 Q99683 1/20 0.62
▸ CTDSP1 Q9GZU7 1/20 0.61
▸ DUSP26 Q9BV47 1/20 0.60
▸ PPARG P37231 1/20 0.58
▸ TDP1 Q9NUW8 2/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ CISD1 Q9NZ45 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ FABP4 P15090 1/20 0.55
▸ TAS2R14 Q9NYV8 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ CASP6 P55212 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ CTNNB1 P35222 1/20 0.52

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
SCHEMBL12008564 0.94 KMT2A (0.66) KMT2AMEN1POLBBLMPLG
SCHEMBL13446880 0.90 AMY1A (0.57) KMT2AMEN1POLBBLMPLG
SCHEMBL12008745 0.84 CISD1 (0.72) KMT2AMEN1POLBMAP3K5CTDSP1
SCHEMBL12008533 0.83 PPARG (0.78) KMT2AMEN1POLBBLMMAP3K5
SCHEMBL6885641 0.83 PPARG (0.62) KMT2AMEN1PPARGCISD1MAOA
SCHEMBL6885647 0.83 PPARG (0.62) KMT2AMEN1PPARGCISD1MAOA
SCHEMBL12008441 0.82 CISD1 (0.70) KMT2AMEN1POLBMAP3K5CTDSP1
SCHEMBL12008539 0.82 KMT2A (0.72) KMT2AMEN1POLBMAP3K5CTDSP1
SCHEMBL20534518 0.81 AKR1B1 (0.70) KMT2AMEN1POLBBLMPLG
SCHEMBL20534519 0.81 AKR1B1 (0.70) KMT2AMEN1POLBBLMPLG

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 5 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-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-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

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 4655/4885POLB 2088/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885POLB 2088/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885MEN1 4655/4885POLB 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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