SCHEMBL3089182

SCHEMBL3089182

CC(=O)N1CC[C@H](NC(=O)OCc2ccccc2)[C@H](N(C(=O)O)C(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
CTSL P07711 2/20 0.44
CPB1 P15086 2/20 0.44
CTSB P07858 1/20 0.44
HSD11B1 P28845 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DPP4 P27487 3/20 0.42
KCNH2 Q12809 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CTSS P25774 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2941384 1.00 CTSK (0.45) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL2853435 0.81 CTSK (0.48) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL2853434 0.81 CTSK (0.48) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL4263739 0.81 PDE4B (0.49) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL210039 0.81 PDE4B (0.49) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL4268253 0.81 PDE4B (0.49) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL2855357 0.80 JAK2 (0.51) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL2855355 0.80 JAK2 (0.51) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL1503863 0.80 CTSK (0.50) CTSKCTSLCPB1CTSBHSD11B1
SCHEMBL1504080 0.80 CTSK (0.50) CTSKCTSLCPB1CTSBHSD11B1

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-20100093785-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-04-15 US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US 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 (2 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-20100093785-A1 DIAMINE DERIVATIVES C9, C1S, C1R CTSK 4333/4885CTSL 2909/4885CPB1 3417/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CTSK 4247/4885CTSL 2437/4885CPB1 3108/4885

“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.