SCHEMBL5547827

SCHEMBL5547827

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H](N)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.61
CA5A P35218 1/20 0.61
CTSL P07711 4/20 0.59
CTSS P25774 4/20 0.59
CA1 P00915 1/20 0.59
CTSB P07858 5/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CTSD P07339 2/20 0.55
CTSK P43235 4/20 0.53
CASP3 P42574 2/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
CASP9 P55211 1/20 0.53
CASP6 P55212 1/20 0.53
CASP8 Q14790 1/20 0.53
LMNA P02545 1/20 0.52
ELANE P08246 1/20 0.51
PRTN3 P24158 1/20 0.51

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
SCHEMBL5662889 1.00 CA2 (0.61) CA2CA5ACTSLCTSSCA1
SCHEMBL5547822 1.00 CA2 (0.61) CA2CA5ACTSLCTSSCA1
SCHEMBL5547819 1.00 CA2 (0.61) CA2CA5ACTSLCTSSCA1
SCHEMBL4075762 0.86 CTSS (0.65) CA2CA5ACTSLCTSSCA1
SCHEMBL16488980 0.85 CTSL (0.59) CA2CA5ACTSLCTSSCA1
SCHEMBL15289789 0.85 CTSL (0.59) CA2CA5ACTSLCTSSCA1
SCHEMBL16488984 0.85 CTSL (0.59) CA2CA5ACTSLCTSSCA1
SCHEMBL15289840 0.85 CTSL (0.59) CA2CA5ACTSLCTSSCA1
SCHEMBL14401772 0.85 CTSD (0.71) CA2CA5ACTSLCTSSCA1
SCHEMBL11672300 0.85 CTSD (0.71) CA2CA5ACTSLCTSSCA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1984880-B Diamine derivative, process for producing the same and fungicide containing the derivative as active ingredient MITSUI CHEMICALS INC 2010-09-22 CN disclosed
US-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 US disclosed
CN-1984880-A Diamine derivative, process for producing the same, and fungicide containing the same as active ingredient MITSUI CHEMICALS INC (JP) 2007-06-20 CN disclosed
EP-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient DDT, AOC1, QDPR CA2 1140/4885CA5A 1004/4885CTSL 3560/4885

“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.