SCHEMBL4082674

SCHEMBL4082674

CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc(N)c1)NC(=O)OCc1ccccc1)C(O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(O)C(N)=O)[C@H](C)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
REN P00797 1/20 0.44
TFPI P10646 1/20 0.44
RXFP3 Q9NSD7 4/20 0.44
RXFP4 Q8TDU9 3/20 0.44
KISS1R Q969F8 2/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
KEAP1 Q14145 2/20 0.43
GLP1R P43220 2/20 0.43
ECE1 P42892 1/20 0.43
MUS81 Q96NY9 1/20 0.43
VIPR1 P32241 2/20 0.43
VIPR2 P41587 1/20 0.43

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
SCHEMBL4089292 0.96 OPRM1 (0.48) OPRM1OPRD1OPRK1RENTFPI
SCHEMBL4088339 0.94 KISS1R (0.49) TFPIKISS1RVIPR1VIPR2
SCHEMBL4082481 0.93 OPRM1 (0.45) OPRM1OPRD1OPRK1RENTFPI
SCHEMBL4396809 0.93 OPRM1 (0.47) OPRM1OPRD1OPRK1RENTFPI
SCHEMBL2367276 0.93 NPY4R (0.43) RENRXFP3RXFP4CTSBCTSK
SCHEMBL4082915 0.92 REN (0.46) OPRM1OPRD1OPRK1RENKISS1R
SCHEMBL4088444 0.92 KISS1R (0.47) TFPIKISS1RGLP1RVIPR1VIPR2
SCHEMBL13724636 0.91 CTSB (0.45) OPRM1OPRD1OPRK1TFPIRXFP3
SCHEMBL4096715 0.90 REN (0.43) OPRM1OPRD1OPRK1RENKISS1R
SCHEMBL13722209 0.90 CTSB (0.44) OPRM1OPRD1OPRK1TFPIRXFP3

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 3 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
US-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AICURIS GMBH & CO. KG (DE) 2008-03-20 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 (2 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-20080070884-A1 Antibiotics; novel class of cell wall biosynthesis inhibitors without cross-resistances to known classes of antibiotics; active analogs of lysobactin with a higher ring stability AAAS, PGLS, NRDC OPRM1 3583/4885OPRD1 3881/4885OPRK1 4437/4885
US-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST OPRM1 1981/4885OPRD1 2570/4885OPRK1 3341/4885

“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.