SCHEMBL14684362

SCHEMBL14684362

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

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.56
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CTSS P25774 5/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
CAPN1 P07384 1/20 0.38
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 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
SCHEMBL1818008 0.89 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL14681218 0.89 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL1818005 0.89 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL12656117 0.85 CTSK (0.40) CTSKCA1CA2CA7CTSS
SCHEMBL1890772 0.84 SMN1; SMN2 (0.44) CTSKCA1CA2CA7CTSS
SCHEMBL1433273 0.78 CTSK (0.68) CTSKCA1CA2CA7CTSS
SCHEMBL7424969 0.78 CTSK (0.68) CTSKCA1CA2CA7CTSS
SCHEMBL7426593 0.78 CTSK (0.68) CTSKCA1CA2CA7CTSS
SCHEMBL7425896 0.78 CTSK (0.68) CTSKCA1CA2CA7CTSS
SCHEMBL1896321 0.77 CTSK (0.44) CTSKCA1CA2CA7CTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130034497-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES PIRAMAL IMAGING SA (CH) 2013-02-07 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-20130034497-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES GLUL, GCG, GLS CTSK 1448/4885CA1 220/4885CA2 1586/4885

“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.