SCHEMBL17880428

SCHEMBL17880428

CCC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@](C)(NC)CCCCCCC=CCCC[C@@](C)(C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NC(C(=O)N[C@H](C(=O)NC(CCCCN)C(N)=O)C(C)C)C(C)C)[C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAFG O15525 1/20 0.53
ESR1 P03372 3/20 0.51
ESR2 Q92731 3/20 0.51
KRAS P01116 6/20 0.50
PRKAR2A P13861 2/20 0.49
PRKAR2B P31323 2/20 0.49
RXFP3 Q9NSD7 5/20 0.48
RXFP4 Q8TDU9 4/20 0.48
NFE2L2 Q16236 1/20 0.48

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
SCHEMBL17880429 0.69 MDM2 (0.71) ESR1ESR2
SCHEMBL29637723 0.66 PRKAR2A (0.94) ESR1ESR2PRKAR2APRKAR2B
SCHEMBL22802821 0.66 ESR1 (0.49) ESR1ESR2PRKAR2APRKAR2BRXFP3
SCHEMBL24918858 0.66 KRAS (0.52) MAFGESR1ESR2KRAS
SCHEMBL17568833 0.65 ESR1 (0.62) ESR1ESR2KRASNFE2L2
SCHEMBL24918853 0.65 BCL2A1 (0.50) MAFGESR1ESR2KRASNFE2L2
SCHEMBL17880430 0.65 MDM2 (0.78) ESR1KRAS
SCHEMBL20694360 0.65 ESR1 (0.49) MAFGESR1ESR2KRASPRKAR2A
SCHEMBL20694568 0.65 ESR1 (0.44) MAFGESR1ESR2KRASPRKAR2A
SCHEMBL14947855 0.65 MCL1 (0.47) ESR1ESR2KRAS

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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX MAFG 632/4885ESR1 3422/4885ESR2 3658/4885

“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.