SCHEMBL12008888

SCHEMBL12008888

O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCN1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.76
▸ SENP8 Q96LD8 1/20 0.76
▸ SENP7 Q9BQF6 1/20 0.76
▸ SENP6 Q9GZR1 1/20 0.76
▸ KMT2A Q03164 6/20 0.71
▸ NCOA3 Q9Y6Q9 2/20 0.71
▸ NCOA1 Q15788 1/20 0.71
▸ NPC1 O15118 2/20 0.68
▸ RAB9A P51151 1/20 0.68
▸ MEN1 O00255 4/20 0.64
▸ FFAR1 O14842 1/20 0.61
▸ GPR55 Q9Y2T6 2/20 0.60
▸ MAPT P10636 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ POLB P06746 1/20 0.59

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
SCHEMBL12008965 0.96 KMT2A (0.78) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL13446915 0.91 CASP3 (0.63) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL12008972 0.83 PKM (0.73) SENP8SENP7SENP6KMT2ANPC1
SCHEMBL12008911 0.81 FFAR1 (0.70) KMT2ANPC1RAB9AMEN1FFAR1
SCHEMBL13446906 0.80 POLB (0.73) KMT2ANPC1RAB9AMEN1FFAR1
SCHEMBL12008893 0.80 KMT2A (0.65) KMT2ANPC1MEN1FFAR1GPR55
SCHEMBL12008863 0.80 KMT2A (0.74) KMT2ANPC1MEN1FFAR1GPR55
SCHEMBL12008871 0.79 KMT2A (0.81) SENP8SENP7SENP6KMT2AMEN1
SCHEMBL15428382 0.79 NCOA3 (0.92) CASP3SENP8SENP7SENP6KMT2A
SCHEMBL12006896 0.77 FFAR1 (1.00) KMT2ANPC1RAB9AMEN1FFAR1

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 CASP3 1807/4885SENP8 4665/4885SENP7 4576/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CASP3 1807/4885SENP8 4665/4885SENP7 4576/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 CASP3 1807/4885SENP8 4665/4885SENP7 4576/4885

“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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