SCHEMBL12008872

SCHEMBL12008872

O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCCC1

nearest known ligand 0.98

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.98
▸ FFAR1 O14842 2/20 0.66
▸ MAPT P10636 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.63
▸ POLB P06746 3/20 0.63
▸ LMNA P02545 2/20 0.63
▸ UBE2N P61088 1/20 0.63
▸ NPC1 O15118 1/20 0.61
▸ MEN1 O00255 3/20 0.61
▸ HSP90AA1 P07900 1/20 0.60
▸ PKM P14618 1/20 0.60
▸ HTT P42858 1/20 0.60

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
SCHEMBL12008890 0.99 KMT2A (1.00) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL12008977 0.99 KMT2A (1.00) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL12008990 0.94 KMT2A (0.86) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL12008887 0.93 KMT2A (0.84) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL18539173 0.92 KMT2A (0.86) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL12008871 0.91 KMT2A (0.81) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL13745374 0.89 KMT2A (0.82) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL12008891 0.89 KMT2A (0.78) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL12008840 0.87 KMT2A (0.75) KMT2AFFAR1MAPTALDH1A1POLB
SCHEMBL12009002 0.86 KMT2A (0.74) KMT2AFFAR1MAPTALDH1A1POLB

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 KMT2A 4503/4885FFAR1 3561/4885MAPT 2143/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885FFAR1 2541/4885MAPT 1929/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885FFAR1 2541/4885MAPT 1929/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 KMT2A 4591/4885FFAR1 2541/4885MAPT 1929/4885

“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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