SCHEMBL13724845

SCHEMBL13724845

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 2/20 0.38
PRMT1 Q99873 1/20 0.38
OPRL1 P41146 3/20 0.37
GLP1R P43220 2/20 0.37
RXFP4 Q8TDU9 2/20 0.37
RXFP3 Q9NSD7 2/20 0.37
ECE1 P42892 1/20 0.37
MUS81 Q96NY9 1/20 0.37
RAMP3 O60896 3/20 0.36
CALCR P30988 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36

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
SCHEMBL13723956 0.96 PRMT1 (0.40) PTH1RPRMT1OPRL1GLP1RRXFP4
SCHEMBL14404788 0.96 PRMT1 (0.40) PTH1RPRMT1OPRL1GLP1RRXFP4
SCHEMBL2367841 0.95 PRMT1 (0.39) PTH1RPRMT1OPRL1GLP1RRXFP4
SCHEMBL2367849 0.95 PRMT1 (0.39) PTH1RPRMT1OPRL1GLP1RRXFP4
SCHEMBL14404950 0.95 PRMT1 (0.39) PTH1RPRMT1OPRL1GLP1RRXFP4
SCHEMBL14404798 0.94 RXFP4 (0.40) PTH1RPRMT1OPRL1GLP1RRXFP4
SCHEMBL13723861 0.94 RXFP4 (0.40) PTH1RPRMT1OPRL1GLP1RRXFP4
SCHEMBL16318368 0.93 PRMT1 (0.38) PTH1RPRMT1GLP1ROPRM1OPRD1
SCHEMBL13723037 0.92 OPRM1 (0.44) PTH1RGLP1RECE1MUS81RAMP3
SCHEMBL13723348 0.91 PRMT1 (0.38) PTH1RPRMT1OPRL1GLP1RRXFP4

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
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 PTH1R 290/4885PRMT1 3756/4885OPRL1 1536/4885

“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.