SCHEMBL12008293

SCHEMBL12008293

CCOC(=O)N1CCN(C(=O)C[S+]([O-])Cc2nc(-c3ccc(C)cc3)oc2C)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
MAPT P10636 9/20 0.66
HSD17B10 Q99714 3/20 0.66
ALOX15 P16050 1/20 0.66
SMN1; SMN2 Q16637 7/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.47
TP53 P04637 3/20 0.47
TARBP2 Q15633 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL12008303 0.92 ALDH1A1 (0.56) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL12008269 0.92 MAPT (0.55) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL12008280 0.89 ALDH1A1 (0.68) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL12008152 0.88 ALDH1A1 (0.68) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL12008316 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL14901098 0.87 MAPT (0.60) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL12008298 0.87 ALDH1A1 (0.65) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL12008294 0.85 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2POLBHPGD
SCHEMBL12008305 0.85 MAPT (0.68) ALDH1A1MAPTHSD17B10ALOX15SMN1; SMN2
SCHEMBL12007817 0.85 HSD17B10 (0.69) ALDH1A1MAPTHSD17B10ALOX15SMN1; 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 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-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-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-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 ALDH1A1 935/4885MAPT 2143/4885HSD17B10 2243/4885
US-20090227624-A1 Oxazole and thiazole compounds as beta-catenin modulators and uses thereof CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885MAPT 1929/4885HSD17B10 2792/4885
US-20170049751-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885MAPT 1929/4885HSD17B10 2792/4885
US-20130109675-A1 OXAZOLE AND THIAZOLE COMPOUNDS AS BETA-CATENIN MODULATORS AND USES THEREOF CTNNB1, CTNNA1, CTNNBL1 ALDH1A1 413/4885MAPT 1929/4885HSD17B10 2792/4885

“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.