SCHEMBL6860586

SCHEMBL6860586

CCOC(=O)CCN(C(=O)CC(=O)OCC)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
ATM Q13315 1/20 0.42
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.40
FAAH O00519 1/20 0.40
CASP3 P42574 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
OPRM1 P35372 2/20 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
SCHEMBL31318741 0.86 SMN1; SMN2 (0.54) SMN1; SMN2MAPTCYP1A2MEN1KMT2A
SCHEMBL21821644 0.85 SMN1; SMN2 (0.73) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1773775 0.83 SMN1; SMN2 (0.51) SMN1; SMN2MAPTLMNACYP2C9CYP2C19
SCHEMBL13431373 0.83 TP53 (0.44) SMN1; SMN2MAPTMEN1KMT2ALMNA
SCHEMBL15020320 0.81 MAPT (0.45) MAPTNPSR1CYP1A2MEN1KMT2A
SCHEMBL4694043 0.81 SMN1; SMN2 (0.45) SMN1; SMN2TDP1ALDH1A1POLB
SCHEMBL15033991 0.80 MAPT (0.43) SMN1; SMN2ATMMAPTNPSR1MEN1
SCHEMBL10752510 0.80 SMN1; SMN2 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28400515 0.78 SMN1; SMN2 (0.71) SMN1; SMN2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL17591506 0.78 MAPT (0.42) SMN1; SMN2ATMMAPTNPSR1MEN1

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-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
EP-2513118-B1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2013-09-18 EP disclosed
EP-2513117-B1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2013-08-28 EP 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-2011073347-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2011-06-23 WO 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 SMN1; SMN2 2101/4885ATM 3421/4885MAPT 918/4885
US-20120258955-A1 BICYCLIC THIAZOLES AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM2 SMN1; SMN2 2101/4885ATM 3421/4885MAPT 918/4885

“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.