SCHEMBL2279591

SCHEMBL2279591

CNC1CC(C(=O)OC)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 11/20 0.41
ANPEP P15144 7/20 0.41
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 1/20 0.40
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
P2RX3 P56373 1/20 0.35
CCR2 P41597 1/20 0.35

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
SCHEMBL21367042 0.88 MMP2 (0.41) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL14393245 0.87 NR1H2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL12444959 0.87 NR1H2 (0.42) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL6362149 0.87 HSD17B10 (0.40) MMP2ANPEPNR1H2PTPN1CYP1A2
SCHEMBL6365865 0.87 HSD17B10 (0.40) MMP2ANPEPNR1H2PTPN1CYP1A2
SCHEMBL7727315 0.86 BTK (0.46) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL7727313 0.86 BTK (0.46) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL7731684 0.86 BTK (0.46) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL13938226 0.86 MMP2 (0.47) MMP2ANPEPNR1H2NR1H3PTPN1
SCHEMBL13938227 0.86 MMP2 (0.47) MMP2ANPEPNR1H2NR1H3PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536716-B1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-21 EP disclosed
US-8426604-B2 Aminothiazolones as estrogen related receptor-alpha modulators JANSSEN PHARMACEUTICA NV (BE) 2013-04-23 US disclosed
EP-2536716-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS Janssen Pharmaceutica, N.V. (BE) 2012-12-26 EP disclosed
WO-2011103130-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-25 WO disclosed
US-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-08-18 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 (1 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-20110200586-A1 AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS ESR2, ESRRA, ESRRG MMP2 2608/4885ANPEP 2055/4885NR1H2 123/4885

“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.