SCHEMBL1770516

SCHEMBL1770516

C=CC[C@@H](N)C(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.41
GRIK2 Q13002 2/20 0.41
ALOX15 P16050 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
NOD1 Q9Y239 1/20 0.34
CAD P27708 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
METAP2 P50579 2/20 0.33

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
SCHEMBL18571419 1.00 GRIK1 (0.41) GRIK1GRIK2ALOX15CYP2D6CYP2C9
SCHEMBL1274021 1.00 GRIK1 (0.41) GRIK1GRIK2ALOX15CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3620844 0.98 GRIK1 (0.40) GRIK1GRIK2ALOX15CYP2D6CYP2C9
SCHEMBL7173452 0.81 NPSR1 (0.40) GRIK1GRIK2ALOX15CYP2D6CYP2C9
SCHEMBL27657002 0.81 GRIK1 (0.42) GRIK1GRIK2ALDH1A1NPSR1HSD17B10
SCHEMBL4573274 0.81
SCHEMBL8054443 0.81
SCHEMBL27584239 0.81 ALOX15 (0.41) ALOX15CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL1198196 0.81
SCHEMBL8285850 0.80 CYP2D6 (0.40) ALOX15CYP2D6CYP2C9CYP2C19ALDH1A1

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
EP-2318361-B1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2015-09-23 EP disclosed
US-8841291-B2 Selective hydroxamic acid based MMP-12 and MMP-13 inhibitors NOVARTIS AG (CH) 2014-09-23 US disclosed
US-8841291-B2 Selective hydroxamic acid based MMP-12 and MMP-13 inhibitors NOVARTIS AG (CH) 2014-09-23 US disclosed
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2014-01-30 US disclosed
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2014-01-30 US disclosed
US-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2011-05-12 US disclosed
US-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2011-05-12 US disclosed
EP-2318361-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS Novartis AG (CH) 2011-05-11 EP disclosed
WO-2010007027-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS NOVARTIS AG (CH) 2010-01-21 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-20110112076-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 GRIK1 1111/4885GRIK2 1601/4885ALOX15 152/4885
US-20140031399-A1 SELECTIVE HYDROXAMIC ACID BASED MMP-12 AND MMP-13 INHIBITORS MMP13, MMP11, MMP14 GRIK1 1151/4885GRIK2 1649/4885ALOX15 152/4885

“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.