SCHEMBL4092747

SCHEMBL4092747

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nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KRAS P01116 6/20 0.42
KEAP1 Q14145 1/20 0.41
VIPR2 P41587 5/20 0.41
VIPR1 P32241 3/20 0.41
MAPK8 P45983 1/20 0.41
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
GLP1R P43220 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
SCHEMBL4082466 0.98 KRAS (0.43) KRASKEAP1VIPR2VIPR1MAPK8
SCHEMBL4086167 0.93 PSEN1 (0.41) KEAP1
SCHEMBL4259164 0.91 KISS1R (0.44) GLP1R
SCHEMBL4255374 0.90 REN (0.41) KRASKEAP1GLP1R
SCHEMBL4087936 0.89 KRAS (0.41) KRASKEAP1VIPR2VIPR1
SCHEMBL4092691 0.87 KRAS (0.42) KRASKEAP1VIPR2VIPR1
SCHEMBL4088444 0.86 KISS1R (0.47) KRASVIPR2VIPR1GLP1R
SCHEMBL4088520 0.86 PSEN1 (0.40)
SCHEMBL2367276 0.85 NPY4R (0.43) KRASKEAP1VIPR2VIPR1
SCHEMBL4099714 0.85 REN (0.39) KRASKEAP1

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 4279/4885KEAP1 2850/4885VIPR2 1533/4885

“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.