SCHEMBL12008763

SCHEMBL12008763

O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1C(=O)O

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 13/20 0.88
▸ POLB P06746 4/20 0.84
▸ MEN1 O00255 12/20 0.83
▸ MAPT P10636 6/20 0.80
▸ SMN1; SMN2 Q16637 4/20 0.80
▸ MAPK1 P28482 3/20 0.80
▸ HTT P42858 3/20 0.80
▸ TNNI3 P19429 1/20 0.77
▸ TNNT2 P45379 1/20 0.77
▸ TNNC1 P63316 1/20 0.77
▸ L3MBTL1 Q9Y468 3/20 0.77
▸ KDM4E B2RXH2 1/20 0.77
▸ APEX1 P27695 1/20 0.77
▸ RECQL P46063 1/20 0.77
▸ ALDH1A1 P00352 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ TDP1 Q9NUW8 2/20 0.74
▸ GAA P10253 1/20 0.74
▸ ATM Q13315 1/20 0.74
▸ PTPN12 Q05209 3/20 0.72

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
SCHEMBL12008573 0.94 KMT2A (0.82) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008786 0.93 KMT2A (1.00) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008601 0.93 KMT2A (0.83) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008775 0.92 POLB (1.00) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008419 0.91 KMT2A (1.00) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008724 0.91 POLB (0.77) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008616 0.90 KMT2A (0.83) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL13446886 0.90 KMT2A (0.72) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008578 0.90 KMT2A (0.84) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL12008905 0.89 KMT2A (0.73) KMT2APOLBMEN1MAPTMAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 4591/4885POLB 2088/4885MEN1 4655/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885POLB 2088/4885MEN1 4655/4885

“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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