SCHEMBL13337047

SCHEMBL13337047

CC(N)CC(C)C(=O)NC(C)C(=O)N1CCCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.41
MMP2 P08253 3/20 0.41
MMP8 P22894 3/20 0.41
DPP7 Q9UHL4 5/20 0.37
DPP8 Q6V1X1 1/20 0.37
MMP3 P08254 2/20 0.34
SMYD3 Q9H7B4 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
FPR3 P25089 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL13337051 0.82 DPP4 (0.41) MMP1MMP2MMP8DPP7DPP8
SCHEMBL13337043 0.81 CYP3A4 (0.42) MMP1MMP2MMP8DPP7DPP8
SCHEMBL13337038 0.80 DPP7 (0.38) MMP1MMP2MMP8DPP7DPP8
SCHEMBL13337040 0.79 DPP4 (0.39) MMP1MMP2MMP8DPP7DPP8
SCHEMBL13337035 0.79 DPP4 (0.39) MMP1MMP2MMP8DPP7DPP8
SCHEMBL25906054 0.75 MMP1 (0.40) MMP1MMP2MMP8JAK2JAK1
SCHEMBL8525273 0.74 PKM (0.46) MMP1MMP2MMP8DPP7ITGB3
SCHEMBL24709908 0.73 PREP (0.45) MMP1MMP2MMP8DPP8JAK2
SCHEMBL13337106 0.73 DPP7 (0.41) MMP1MMP2MMP8DPP7DPP8
SCHEMBL13747145 0.73 MMP1 (0.45) MMP1MMP2MMP8JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN THE UNIVERSITY OF QUEENSLAND 2010-05-27 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 (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-20100130581-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF PAIN OPRL1, CRH, OPRK1 MMP1 3090/4885MMP2 1369/4885MMP8 639/4885

“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.