SCHEMBL15947741

SCHEMBL15947741

C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
USP2 O75604 1/20 0.49
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
PREP P48147 1/20 0.44
CTSD P07339 1/20 0.43
CTSS P25774 1/20 0.43
PKM P14618 1/20 0.42
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HRH2 P25021 2/20 0.40
HRH1 P35367 2/20 0.40
TSHR P16473 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL23050302 0.90 CTSK (0.53) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL7416847 0.87 CTSK (0.52) CTSKCTSLCTSBPREPCTSS
SCHEMBL7414029 0.87 CTSK (0.52) CTSKCTSLCTSBPREPCTSS
SCHEMBL16710005 0.86 CTSK (0.51) CTSKCTSLCTSBPREPCTSS
SCHEMBL5441244 0.85 SMN1; SMN2 (0.54) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL6164797 0.85 SMN1; SMN2 (0.54) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL5451145 0.85 SMN1; SMN2 (0.54) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL9512357 0.82 CTSK (0.46) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL9512325 0.82 CTSK (0.46) CTSKSMN1; SMN2USP2CTSLCTSB
SCHEMBL4702779 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CTSSPKMKMT2ATSHR

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-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-01-07 US disclosed
US-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2016-01-07 US disclosed
WO-2014122664-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2014-08-14 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-20160002269-A1 LANTHANIDE CLUSTERS AND METHODS OF USE THEREOF VAC14, LPXN, SLC39A7 CTSK 3165/4885SMN1; SMN2 4125/4885USP2 2960/4885

“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.