SCHEMBL4082641

SCHEMBL4082641

CC(C)C(O)[C@@H]([C]=O)NC(=O)[C@@H](N)Cc1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.41
ADRB2 P07550 4/20 0.39
SLC7A5 Q01650 3/20 0.38
PRCP P42785 1/20 0.38
OPRD1 P41143 5/20 0.36
OPRM1 P35372 4/20 0.36
OPRK1 P41145 2/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36

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
SCHEMBL4082518 0.91 CTSC (0.42) CTSCADRB2SLC7A5PRCPOPRD1
SCHEMBL4086975 0.80 CTSL (0.51)
SCHEMBL1645427 0.77 CTSC (0.58) CTSCSLC7A5OPRD1OPRM1OPRK1
SCHEMBL9350598 0.76 CTSC (0.57) CTSCSLC7A5OPRD1OPRM1OPRK1
SCHEMBL9350595 0.76 CTSC (0.57) CTSCSLC7A5OPRD1OPRM1OPRK1
SCHEMBL9637178 0.72 CTSC (0.54) CTSCSLC7A5OPRD1OPRM1OPRK1
SCHEMBL9637180 0.72 CTSC (0.54) CTSCSLC7A5OPRD1OPRM1OPRK1
SCHEMBL7108845 0.70 SLC7A5 (0.54) ADRB2SLC7A5NOS3NOS1NOS2
SCHEMBL21947593 0.70 SLC7A5 (0.54) ADRB2SLC7A5NOS3NOS1NOS2
SCHEMBL3770254 0.70 SLC7A5 (0.54) ADRB2SLC7A5NOS3NOS1NOS2

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 619/4885ADRB2 3884/4885SLC7A5 298/4885

“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.