SCHEMBL5547770

SCHEMBL5547770

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.57
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
CA2 P00918 1/20 0.52
CA5A P35218 1/20 0.52
CTSD P07339 2/20 0.52
CTSK P43235 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CTSB P07858 2/20 0.51
KLK5 Q9Y337 1/20 0.51
CA1 P00915 1/20 0.51
ATM Q13315 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
SCHEMBL5547761 1.00 SYK (0.57) SYKCTSSCTSLCA2CA5A
SCHEMBL5551893 1.00 SYK (0.57) SYKCTSSCTSLCA2CA5A
SCHEMBL5547765 1.00 SYK (0.57) SYKCTSSCTSLCA2CA5A
SCHEMBL2723154 0.89 SYK (0.71) SYKCTSSCTSLCTSKCTSB
SCHEMBL2723152 0.89 SYK (0.71) SYKCTSSCTSLCTSKCTSB
SCHEMBL2725000 0.89 SYK (0.71) SYKCTSSCTSLCTSKCTSB
SCHEMBL2670927 0.88 CTSS (0.62) SYKCTSSCTSLCTSKCTSB
SCHEMBL20046452 0.86 CA2 (0.58) SYKCTSSCTSLCA2CA5A
SCHEMBL20075956 0.86 CA2 (0.58) SYKCTSSCTSLCA2CA5A
SCHEMBL18154129 0.84 CTSS (0.55) SYKCTSSCTSLCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 SYK 879/4885CTSS 3767/4885CTSL 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.