SCHEMBL4087936

SCHEMBL4087936

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)[C@H](CC(C)(C)C)NC(=O)[C@@H](CC(C)(C)C)NC(=O)OCc1ccccc1)C(O)C(C)C)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](COC(=O)C(F)(F)F)C(=O)O)[C@H](C)OC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 5/20 0.41
REN P00797 1/20 0.40
TFPI P10646 1/20 0.40
KEAP1 Q14145 1/20 0.40
NPY4R P50391 1/20 0.40
KISS1R Q969F8 2/20 0.40
VIPR1 P32241 1/20 0.39
VIPR2 P41587 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL4092691 0.98 KRAS (0.42) KRASRENTFPIKEAP1NPY4R
SCHEMBL4255374 0.93 REN (0.41) KRASRENKEAP1KISS1RCTSB
SCHEMBL4088444 0.90 KISS1R (0.47) KRASTFPIKISS1RVIPR1VIPR2
SCHEMBL4092747 0.89 KRAS (0.42) KRASKEAP1VIPR1VIPR2
SCHEMBL2367276 0.89 NPY4R (0.43) KRASRENKEAP1NPY4RVIPR1
SCHEMBL4099714 0.88 REN (0.39) KRASRENKEAP1KISS1RCTSB
SCHEMBL4082466 0.87 KRAS (0.43) KRASKEAP1VIPR1VIPR2
SCHEMBL4082481 0.87 OPRM1 (0.45) RENTFPIKISS1RVIPR1CTSB
SCHEMBL4088339 0.87 KISS1R (0.49) KRASTFPIKISS1RVIPR1VIPR2
SCHEMBL4255315 0.86 KISS1R (0.48) RENKISS1R

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 KRAS 4279/4885REN 1728/4885TFPI 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.