SCHEMBL9929913

SCHEMBL9929913

CN(C[C@@H]1OC(=O)N2c3ccc(C4CCS(=O)(=O)CC4)cc3C[C@@H]12)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL9930490 0.88 MAOA (0.34) IKBKETBK1HDAC1HDAC8HDAC6
SCHEMBL9930231 0.86
SCHEMBL9930416 0.82 MAOA (0.43)
SCHEMBL4555055 0.76 MAOA (0.36)
SCHEMBL9930591 0.73 MAOA (0.33)
SCHEMBL9929662 0.72 MAOA (0.33)
SCHEMBL9930004 0.72 HTR1D (0.35)
SCHEMBL9964803 0.71 MAOA (0.44)
SCHEMBL9930234 0.71 MAOA (0.35)
SCHEMBL9930468 0.71

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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections CSO of MicuRx Pharmaceuticals, Inc. 2012-06-21 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-20120157434-A1 Antimicrobial heterocyclic compounds for treatment of bacterial infections NISCH, NOD1, NQO1 IKBKE 737/4885TBK1 2208/4885HDAC1 167/4885

“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.