SCHEMBL5898313

SCHEMBL5898313

C[C@@H](NC(=O)OCc1ccccc1)C(=O)c1ccc(F)cc1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSB P07858 1/20 0.48
ATM Q13315 1/20 0.47
KCNA5 P22460 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CASP3 P42574 1/20 0.46
PSMB5 P28074 1/20 0.46
ELANE P08246 1/20 0.45
MGLL Q99685 1/20 0.45
OPRK1 P41145 1/20 0.44
CTRB1 P17538 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5898498 1.00 CTSK (0.48) CTSKCTSLCTSSCTSBATM
SCHEMBL11982516 0.81 CTSK (0.51) CTSKCTSLCTSSCTSBATM
SCHEMBL1643095 0.81 CTSK (0.51) CTSKCTSLCTSSCTSBATM
SCHEMBL851513 0.80 CTSK (0.45) CTSKCTSLCTSSCTSBATM
SCHEMBL8798293 0.78 CTSK (0.54) CTSKCTSLCTSSCTSBATM
SCHEMBL9744407 0.78 CTSK (0.52) CTSKCTSLCTSSCTSBATM
SCHEMBL522838 0.76 ALDH1A1 (0.57) KCNA5LMNAKMT2AALDH1A1
SCHEMBL6986082 0.76 CTSK (0.59) CTSKCTSLCTSSCTSBATM
SCHEMBL241564 0.76 CTSK (0.61) CTSKCTSLCTSSCTSBATM
SCHEMBL241565 0.76 CTSK (0.61) CTSKCTSLCTSSCTSBATM

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 1631/4885CTSL 1396/4885CTSS 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.