SCHEMBL13722801

SCHEMBL13722801

CC[C@H](C)C(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)(C)C)NC(=O)[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H](O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)O)[C@H](C)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VIPR1 P32241 3/20 0.42
VIPR2 P41587 3/20 0.42
TFPI P10646 1/20 0.42
GLP1R P43220 1/20 0.41
KISS1R Q969F8 2/20 0.41
KRAS P01116 1/20 0.41
CTSB P07858 1/20 0.41
CTSK P43235 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 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
SCHEMBL13722487 0.98 VIPR1 (0.43) VIPR1VIPR2TFPIGLP1RKISS1R
SCHEMBL13723789 0.97 PSEN1 (0.43) VIPR1VIPR2TFPIGLP1RKISS1R
SCHEMBL13722918 0.97 KISS1R (0.42) KISS1RCTSBCTSKPSEN1PSEN2
SCHEMBL16313869 0.94 PSEN1 (0.45) GLP1RCTSBCTSKPSEN1PSEN2
SCHEMBL13724178 0.94 PSEN1 (0.45) GLP1RCTSBCTSKPSEN1PSEN2
SCHEMBL13724558 0.94 PSEN1 (0.44) CTSBCTSKPSEN1PSEN2APH1B
SCHEMBL14404860 0.94 PSEN1 (0.39) GLP1RPSEN1PSEN2APH1BNCSTN
SCHEMBL13723065 0.94 PSEN1 (0.46) CTSBCTSKPSEN1PSEN2APH1B
SCHEMBL13724199 0.94 PSEN1 (0.46) CTSBCTSKPSEN1PSEN2APH1B
SCHEMBL13725118 0.94 PSEN1 (0.39) GLP1RPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 VIPR1 1436/4885VIPR2 1533/4885TFPI 1577/4885

“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.