SCHEMBL12008302

SCHEMBL12008302

Cc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
TP53 P04637 3/20 0.68
SMN1; SMN2 Q16637 6/20 0.58
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 2/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL14901098 0.95 MAPT (0.60) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008165 0.91 MAPT (0.68) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008294 0.91 MAPT (0.67) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13446798 0.90 MAPT (0.71) MAPTTP53SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13694824 0.87 MAPT (0.60) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008328 0.86 MAPT (0.59) MAPTTP53SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL12008295 0.86 MAPT (0.70) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008298 0.86 ALDH1A1 (0.65) MAPTTP53SMN1; SMN2ALDH1A1KDM4E
SCHEMBL12008151 0.85 MAPT (0.63) MAPTTP53SMN1; SMN2LMNAPOLB
SCHEMBL12008166 0.84 ALDH1A1 (0.67) MAPTTP53SMN1; SMN2ALDH1A1KDM4E

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 11 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-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-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 (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-20120264744-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 2143/4885TP53 91/4885SMN1; SMN2 3202/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885TP53 73/4885SMN1; SMN2 3198/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 MAPT 1929/4885TP53 73/4885SMN1; SMN2 3198/4885

“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.