SCHEMBL12008166

SCHEMBL12008166

Cc1ccc(-c2nc(C[S+]([O-])CC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
HPGD P15428 3/20 0.67
KDM4E B2RXH2 3/20 0.67
MAPT P10636 11/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
HTT P42858 3/20 0.58
HSD17B10 Q99714 3/20 0.58
POLB P06746 3/20 0.58
LMNA P02545 3/20 0.58
MAPK1 P28482 1/20 0.58
TSHR P16473 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
TP53 P04637 3/20 0.51
SLC6A7 Q99884 1/20 0.47
GRM5 P41594 1/20 0.47
ALOX15 P16050 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 0.89 MAPT (0.60) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008294 0.88 MAPT (0.67) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL13694824 0.86 MAPT (0.60) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008295 0.85 MAPT (0.70) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008298 0.84 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008165 0.84 MAPT (0.68) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008302 0.84 MAPT (0.68) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008293 0.84 ALDH1A1 (0.66) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008328 0.83 MAPT (0.59) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2
SCHEMBL12008299 0.83 SMN1; SMN2 (0.56) ALDH1A1HPGDKDM4EMAPTSMN1; SMN2

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 12 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-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 ALDH1A1 935/4885HPGD 2120/4885KDM4E 3752/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885HPGD 2438/4885KDM4E 3915/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885HPGD 2438/4885KDM4E 3915/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885HPGD 2438/4885KDM4E 3915/4885

“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.