SCHEMBL1000904

SCHEMBL1000904

CC(C)(C)OC(=O)N[C@@H](CCCC(N)C(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.45
▸ TLR2 O60603 3/20 0.45
▸ CTSK P43235 5/20 0.43
▸ CTSS P25774 4/20 0.43
▸ TLR1 Q15399 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ KMT2A Q03164 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ HDAC1 Q13547 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
SCHEMBL1000056 0.89 MDM2 (0.55) MDM2TLR2CTSKTLR1IDO1
SCHEMBL21683236 0.87 KMT2A (0.56) MDM2TLR2TLR1KMT2A
SCHEMBL1001832 0.87 KMT2A (0.56) MDM2TLR2TLR1KMT2A
SCHEMBL30492090 0.86 KMT2A (0.52) MDM2TLR2TLR1KMT2A
SCHEMBL31421921 0.85 KMT2A (0.53) MDM2TLR2TLR1KMT2A
SCHEMBL30984641 0.85 KMT2A (0.53) MDM2TLR2TLR1KMT2A
SCHEMBL29355954 0.82 PTPN1 (0.48) MDM2TLR2KMT2A
SCHEMBL6740719 0.82 MDM2 (0.57) MDM2TLR2IDO1
SCHEMBL28928924 0.82 MDM2 (0.57) MDM2TLR2IDO1
SCHEMBL27153601 0.80 CASP3 (0.48) MDM2KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 — — US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 — — EP disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 — — EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 — — US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 — — WO 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 MDM2 2032/4885TLR2 20/4885CTSK 643/4885

“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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