SCHEMBL4088656

SCHEMBL4088656

CC(C)(C)OC(=O)NCC(=O)N[C@H]([C]=O)Cc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.52
NAMPT P43490 1/20 0.45
CTSS P25774 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9439408 0.89 CYP3A4 (0.51) CYP3A4NAMPTCTSSCTSLCTSB
SCHEMBL4082666 0.88 CTSS (0.53) CYP3A4CTSSCTSLCTSBCTSK
SCHEMBL11853949 0.88 CTSS (0.53) CYP3A4CTSSCTSLCTSBCTSK
SCHEMBL11860523 0.85 CTSS (0.51) CYP3A4CTSSCTSLCTSBCTSK
SCHEMBL11860510 0.85 CTSS (0.51) CYP3A4CTSSCTSLCTSBCTSK
SCHEMBL6737619 0.82 CYP3A4 (0.49) CYP3A4NAMPTCTSSCTSLCTSB
SCHEMBL1275003 0.80 CYP3A4 (0.71) CYP3A4NAMPTALDH1A1CYP1A2CYP2C9
SCHEMBL11860454 0.78 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL11860445 0.78 CTSS (0.51) CTSSCTSLCTSBCTSK
SCHEMBL30336917 0.77 CYP3A4 (0.53) CYP3A4NAMPTRAB9ASCN9A

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 CYP3A4 2536/4885NAMPT 10/4885CTSS 660/4885

“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.