SCHEMBL4085456

SCHEMBL4085456

CC(C)(C)OC(=O)C[C@H](Nc1cccnc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.46
▸ CYP3A4 P08684 4/20 0.43
▸ FDPS P14324 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ GOPC Q9HD26 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NOTUM Q6P988 2/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL38121 0.85 PPARA (0.42) RAB9AKDM4ELMNA
SCHEMBL38122 0.85 PPARA (0.42) RAB9AKDM4ELMNA
SCHEMBL31052770 0.81 FDPS (0.44) NAMPTCYP3A4FDPSHTTRAB9A
SCHEMBL29416376 0.78 NPC1 (0.50) NAMPTCYP3A4FDPSHTTRAB9A
SCHEMBL30340371 0.78 NPC1 (0.50) NAMPTCYP3A4FDPSHTTRAB9A
SCHEMBL14052936 0.77 FDPS (0.51) NAMPTCYP3A4FDPSRAB9ANPC1
SCHEMBL14053150 0.77 FDPS (0.51) NAMPTCYP3A4FDPSRAB9ANPC1
SCHEMBL28611674 0.76 LMNA (0.41) FDPSHTTRAB9ANPC1PKM
SCHEMBL10758682 0.76 NAMPT (0.52) NAMPTCYP3A4HTTRAB9ANPC1
SCHEMBL6243723 0.75 KCNA5 (0.42) RAB9ALMNA

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 NAMPT 10/4885CYP3A4 2536/4885FDPS 565/4885

“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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