SCHEMBL5898129

SCHEMBL5898129

C[C@@H](NC(=O)OCc1ccccc1)C(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.59
MAOB P27338 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
CTSS P25774 2/20 0.53
PARP10 Q53GL7 1/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SRD5A2 P31213 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
LTA4H P09960 1/20 0.50

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
SCHEMBL5325046 1.00 CTSK (0.59) CTSKMAOBNR4A1NR4A2NR4A3
SCHEMBL5325045 1.00 CTSK (0.59) CTSKMAOBNR4A1NR4A2NR4A3
SCHEMBL5898328 0.90 ATM (0.60) CTSKCTSSNPC1RAB9ALMNA
SCHEMBL5898423 0.88 CTSK (0.57) CTSKMAOBNR4A1NR4A2NR4A3
SCHEMBL29001957 0.86 CTSK (0.61) CTSKMAOBNR4A2CTSSLMNA
SCHEMBL29001954 0.86 CTSK (0.61) CTSKMAOBNR4A2CTSSLMNA
SCHEMBL3487855 0.86 TP53 (0.53) CTSKCTSSNPC1RAB9ALMNA
SCHEMBL1644719 0.86 TP53 (0.53) CTSKCTSSNPC1RAB9ALMNA
SCHEMBL3483760 0.86 TP53 (0.53) CTSKCTSSNPC1RAB9ALMNA
SCHEMBL4870019 0.84 CTSK (0.50) CTSKCTSSNPC1RAB9ASMN1; SMN2

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-7026515-B2 Optically active amine derivatives and preparation process therefor MITSUI CHEMICALS, INC. (JP) 2006-04-11 US disclosed
US-20040030144-A1 Optically active amine derivative and method of synthesis MITSUI CHEMICALS, INC. (JP) 2004-02-12 US disclosed
EP-1340743-A1 OPTICALLY ACTIVE AMINE DERIVATIVE AND METHOD OF SYNTHESIS Mitsui Chemicals, Inc. (JP) 2003-09-03 EP 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-20040030144-A1 Optically active amine derivative and method of synthesis ALDH7A1, AADAT, KMO CTSK 1631/4885MAOB 196/4885NR4A1 3249/4885

“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.