SCHEMBL13445989

SCHEMBL13445989

C#CC[C@H](NC)C(=O)NC

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
MMP8 P22894 2/20 0.31
GRIK1 P39086 2/20 0.31
GRIK2 Q13002 2/20 0.31
BMP1 P13497 1/20 0.30

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
SCHEMBL17130497 0.82 MMP2 (0.32) MMP2MMP9MMP8
SCHEMBL25657467 0.80
SCHEMBL18646649 0.80
SCHEMBL28269230 0.80
SCHEMBL13445974 0.80
SCHEMBL14950814 0.80
SCHEMBL13866721 0.78
SCHEMBL24520334 0.77
SCHEMBL19487337 0.77
SCHEMBL13034838 0.76 CYP1A2 (0.34) BMP1

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-8293206-B2 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2012-10-23 US disclosed
US-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2010-03-25 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-20100074910-A1 Achievement of a high therapeutic index through molecular imaging guided targeted drug treatment MKI67, CD47, CD68 MMP2 1222/4885MMP9 1164/4885MMP8 439/4885

“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.