SCHEMBL5898423

SCHEMBL5898423

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

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.57
MAOB P27338 1/20 0.53
CTSS P25774 4/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
NR4A1 P22736 1/20 0.52
NR4A2 P43354 1/20 0.52
NR4A3 Q92570 1/20 0.52
ELANE P08246 2/20 0.51
PRTN3 P24158 1/20 0.51
PARP10 Q53GL7 1/20 0.50
ADAMTS4 O75173 1/20 0.50
MMP13 P45452 1/20 0.50
CAPN1 P07384 1/20 0.49

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
SCHEMBL5325045 0.88 CTSK (0.59) CTSKMAOBCTSSCTSLCTSB
SCHEMBL5898129 0.88 CTSK (0.59) CTSKMAOBCTSSCTSLCTSB
SCHEMBL5325046 0.88 CTSK (0.59) CTSKMAOBCTSSCTSLCTSB
SCHEMBL3740424 0.81 NR4A1 (0.51) CTSKCTSSCTSLCTSBNR4A1
SCHEMBL3731879 0.81 CTSL (0.53) CTSKCTSSCTSLCTSBNR4A1
SCHEMBL8671882 0.80 CTSL (0.63) CTSKCTSSCTSLCTSBELANE
SCHEMBL220569 0.80 CTSL (0.63) CTSKCTSSCTSLCTSBELANE
SCHEMBL2978398 0.80 CTSL (0.63) CTSKCTSSCTSLCTSBELANE
SCHEMBL1287168 0.80 CTSL (0.63) CTSKCTSSCTSLCTSBELANE
SCHEMBL8492505 0.80 MME (0.64)

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 196/4885CTSS 2530/4885

“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.