SCHEMBL14828630

SCHEMBL14828630

COC(=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H](N=[N+]=[N-])C[C@H]1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ ANPEP P15144 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ MAOB P27338 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ NFKB1 P19838 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SYK P43405 1/20 0.30
▸ GAA P10253 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
SCHEMBL13618940 0.81 BTK (0.39) KDM1AMMP2ANPEPBTKMAOB
SCHEMBL13618937 0.81 BTK (0.39) KDM1AMMP2ANPEPBTKMAOB
SCHEMBL12631404 0.78 BTK (0.45) KDM1ABTKMAOBMAOANFKB1
SCHEMBL14828632 0.77 BTK (0.43) KDM1ABTKMAOBMAOANFKB1
SCHEMBL16676956 0.77 BTK (0.36) KDM1ABTKMAOBMAOANFKB1
SCHEMBL14828631 0.76 MMP2 (0.40) MMP2ANPEP
SCHEMBL16477718 0.76 KDM1A (0.37) KDM1ABTKMAOBMAOANFKB1
SCHEMBL13618972 0.74 BTK (0.51) KDM1ABTKMAOBMAOANFKB1
SCHEMBL15016060 0.74 BTK (0.51) KDM1ABTKMAOBMAOANFKB1
SCHEMBL13696126 0.74 BTK (0.51) KDM1ABTKMAOBMAOANFKB1

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-20130081999-A1 Bridged Macrocyclic Module Compositions WHITEFORD JEFFERY A (US) 2013-04-04 — — 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-20130081999-A1 Bridged Macrocyclic Module Compositions SBDS, NCL, INTS6 KDM1A 3560/4885MMP2 4212/4885ANPEP 2192/4885

“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.

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