SCHEMBL4089245

SCHEMBL4089245

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nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.33
DPP4 P27487 2/20 0.33
ROCK2 O75116 2/20 0.32
CIT O14578 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CTSH P09668 1/20 0.31
CYP2D6 P10635 1/20 0.31
CTSK P43235 1/20 0.31
AAK1 Q2M2I8 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
SCHEMBL8210345 0.90 CTSC (0.43) CTSCDPP4CYP1A2CYP3A4CTSH
SCHEMBL7136092 0.84 DPP4 (0.49) DPP4
SCHEMBL9221199 0.81 CTSC (0.43) CTSCDPP4CTSHCTSK
SCHEMBL25530472 0.77 DPP4 (0.36) DPP4ROCK2CITCYP3A4AAK1
SCHEMBL4046388 0.77 KDM4E (0.32)
SCHEMBL14404899 0.73 DPP4 (0.33) DPP4ROCK2CITAAK1
SCHEMBL5191383 0.73 GRN (0.46) DPP4ROCK2
SCHEMBL14167270 0.72 DPP4 (0.41) DPP4ROCK2CITAAK1
SCHEMBL12883235 0.72 DPP4 (0.41) DPP4ROCK2CITAAK1
SCHEMBL24832183 0.71 SCN9A (0.41) DPP4ROCK2AAK1

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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSC 619/4885DPP4 552/4885ROCK2 4628/4885

“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.