SCHEMBL4088259

SCHEMBL4088259

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.46
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
MME P08473 6/20 0.39
NMT2 O60551 1/20 0.37
NMT1 P30419 1/20 0.37
MMP2 P08253 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
ENPEP Q07075 2/20 0.35
OPRK1 P41145 1/20 0.35
PTGS1 P23219 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34

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
SCHEMBL4088251 1.00 TERT (0.46) TERTOPRM1OPRD1MMENMT2
SCHEMBL4099110 0.94 OPRM1 (0.44) TERTOPRM1OPRD1MMEOPRK1
SCHEMBL4099102 0.94 OPRM1 (0.44) TERTOPRM1OPRD1MMEOPRK1
SCHEMBL2870309 0.92 TERT (0.52) TERTMMEMMP2TGFBR1ACE
SCHEMBL29790102 0.92 TERT (0.52) TERTMMEMMP2TGFBR1ACE
SCHEMBL2870304 0.92 TERT (0.52) TERTMMEMMP2TGFBR1ACE
SCHEMBL4088244 0.92 TERT (0.42) TERTOPRM1OPRD1ENPEP
SCHEMBL4088242 0.92 TERT (0.42) TERTOPRM1OPRD1ENPEP
SCHEMBL4089483 0.91 OPRM1 (0.42) TERTOPRM1OPRD1ENPEPOPRK1
SCHEMBL4089476 0.91 OPRM1 (0.42) TERTOPRM1OPRD1ENPEPOPRK1

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 TERT 3633/4885OPRM1 1981/4885OPRD1 2570/4885

“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.