SCHEMBL6893562

SCHEMBL6893562

CCOC(=O)C1C(=O)CCN(c2ccc(F)cc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
APP P05067 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.40
LGMN Q99538 1/20 0.39

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
SCHEMBL29660684 0.88 POLB (0.41) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL31318714 0.87 MAPT (0.46) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL21822034 0.87 NPC1 (0.46) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL1750923 0.79 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL3923679 0.79 KMT2A (0.47) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL16799313 0.75 ALDH1A1 (0.47) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL1303947 0.73 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4336939 0.73 HPGD (0.61) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL3367604 0.72 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL21777188 0.71 MEN1 (0.38) ALDH1A1MEN1KMT2APOLBMAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174953-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-11-03 US disclosed
US-9174953-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-11-03 US disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-9040707-B2 Bicyclic thiazoles as allosteric modulators of mGluR5 receptors JANSSEN PHARMACEUTICA NV (BE) 2015-05-26 US disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2012-10-11 US disclosed
US-20120252800-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-04 US disclosed
US-20120252800-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA N.V. (BE) 2012-10-04 US disclosed
WO-2011073339-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO 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 (2 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-20120252800-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 ALDH1A1 4174/4885TDP1 3460/4885MEN1 4686/4885
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 ALDH1A1 4174/4885TDP1 3460/4885MEN1 4686/4885

“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.