SCHEMBL254254

SCHEMBL254254

C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CYP2D6 P10635 1/20 0.51
CTSK P43235 9/20 0.49
CTSS P25774 4/20 0.49
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
PREP P48147 1/20 0.42
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL7922247 1.00 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL8142343 1.00 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544316 0.84 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL1369819 0.84 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL2544315 0.84 CA1 (0.52) CA1CA2CA7CYP2D6CTSK
SCHEMBL19290013 0.83 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL12682087 0.83 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL17700922 0.83 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL12493535 0.83 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL17857663 0.83 CA1 (0.50) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3998269-A1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS Novartis AG (CH) 2022-05-18 EP disclosed
EP-3615533-B1 FUSED INDAZOLE PYRIDONE COMPOUNDS AS ANTIVIRALS NOVARTIS AG (CH) 2021-09-08 EP disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-9090632-B2 Bicyclic oxazole and thiazole compounds and their use as allosteric modulators of mGluR5 receptors VANDERBILT UNIVERSITY (US) 2015-07-28 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2013-10-03 US disclosed
WO-2012031024-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS VANDERBILT UNIVERSITY (US) 2012-03-08 WO disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 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 (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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 CA1 3328/4885CA2 3798/4885CA7 3932/4885
US-20130261107-A1 BICYCLIC OXAZOLE AND THIAZOLE COMPOUNDS AND THEIR USE AS ALLOSTERIC MODULATORS OF MGLUR5 RECEPTORS GRM5, GRIK5, GRM1 CA1 2851/4885CA2 1722/4885CA7 4382/4885

“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.