SCHEMBL1818005

SCHEMBL1818005

CC(C)(C)OC(=O)N[C@@H](C[C@H](C/C=C/I)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.43
CTSS P25774 6/20 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
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CYP2D6 P10635 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
CAPN1 P07384 1/20 0.35
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
AAK1 Q2M2I8 1/20 0.34

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 1.00 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL14684362 0.89 CTSK (0.56) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL14681218 0.89 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12656117 0.85 CTSK (0.40) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1890772 0.84 SMN1; SMN2 (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1896321 0.77 CTSK (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL1421112 0.77 CTSK (0.44) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL13043784 0.76 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL12762362 0.76 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2
SCHEMBL16387589 0.76 CTSK (0.43) CTSKCTSSCTSLCTSBCYP1A2

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 3 patents. 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
EP-2501416-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES Piramal Imaging SA (CH) 2012-09-26 EP disclosed
WO-2011061154-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 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 (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 1448/4885CTSS 2695/4885CTSL 2264/4885

“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.