SCHEMBL4122354

SCHEMBL4122354

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

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 3/20 0.64
▸ CTSK P43235 3/20 0.64
▸ PSENEN Q9NZ42 1/20 0.56
▸ CA2 P00918 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL4122350 1.00 CTSS (0.64) CTSSCTSKPSENENCA2KDM4E
SCHEMBL18766187 0.93 CTSS (0.68) CTSSCTSKPSENENCA2KDM4E
SCHEMBL11405307 0.93 CTSS (0.68) CTSSCTSKPSENENCA2KDM4E
SCHEMBL11570829 0.91 CTSS (0.56) CTSSCTSKPSENENCA2ALDH1A1
SCHEMBL11570820 0.91 CTSS (0.56) CTSSCTSKPSENENCA2ALDH1A1
SCHEMBL22068618 0.90 CTSS (0.65) CTSSCTSKPSENENCA2
SCHEMBL22068619 0.90 CTSS (0.65) CTSSCTSKPSENENCA2
SCHEMBL31139338 0.89 CTSS (0.64) CTSSCTSKPSENENCA2ALDH1A1
SCHEMBL31139352 0.89 CTSS (0.64) CTSSCTSKPSENENCA2ALDH1A1
SCHEMBL8492292 0.87 CTSS (0.61) CTSSCTSKPSENENCA2ALDH1A1

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-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES BAYER HEALTHCARE AG (DE) 2009-06-25 — — 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-20090163696-A1 METHOD FOR PREPARING LYSOBACTIN DERIVATIVES DLST, VIP, HAMP CTSS 642/4885CTSK 571/4885PSENEN 1102/4885

“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.

Send feedback