SCHEMBL13722209

SCHEMBL13722209

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](NC(=O)OCc1ccccc1)[C@H](N)c1ccccc1)[C@H](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@H](O)C(N)=O)[C@H](C)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.44
CTSK P43235 3/20 0.44
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
RXFP4 Q8TDU9 1/20 0.42
RXFP3 Q9NSD7 1/20 0.42
KEAP1 Q14145 2/20 0.42
KISS1R Q969F8 2/20 0.42
GLP1R P43220 3/20 0.41
ECE1 P42892 1/20 0.41
MUS81 Q96NY9 1/20 0.41
VIPR1 P32241 2/20 0.41
VIPR2 P41587 1/20 0.41
TFPI P10646 1/20 0.41

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
SCHEMBL13723237 0.97 CTSB (0.46) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13723712 0.97 CTSB (0.46) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13724244 0.97 CTSB (0.45) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13723798 0.96 OPRM1 (0.46) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13722689 0.95 CTSB (0.41) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL14404881 0.95 CTSB (0.41) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13723004 0.95 CTSB (0.44) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13723911 0.95 CTSB (0.45) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13724636 0.95 CTSB (0.45) CTSBCTSKOPRM1OPRD1OPRK1
SCHEMBL13724550 0.95 GLP1R (0.42) CTSBCTSKOPRM1OPRD1OPRK1

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 6 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-8076285-B2 Lysobactin amides AICURIS GMBH & CO. KG (DE) 2011-12-13 US disclosed
EP-2007794-B1 LYSOBACTIN AMIDES AICURIS GMBH & CO KG (DE) 2011-09-14 EP disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
US-20090203582-A1 LYSOBACTIN AMIDES BAYER HEALTHCARE AG (DE) 2009-08-13 US disclosed
WO-2007118691-A1 LYSOBACTIN AMIDES AICURIS GMBH & CO. KG (DE) 2007-10-25 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-20090203582-A1 LYSOBACTIN AMIDES AADAT, HAMP, DLST CTSB 236/4885CTSK 1058/4885OPRM1 1981/4885

“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.