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SCHEMBL17880462

SCHEMBL17880462

C=CCCCCCC[C@@](C)(NC)C(=O)N[C@@H](N[C@H](C=O)CC(N)=O)C(=O)N[C@@H](N[C@H](C=O)CC(C)C)C(=O)N[C@@H](N[C@H](C=O)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](N[C@H](C=O)CCCCN)C(=O)N[C@@H](N[C@H](C=O)CC(C)C)C(=O)N[C@@H](N[C@H](C=O)CC(C)C)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 1/20 0.38
▸ GHSR Q92847 5/20 0.38
▸ GLP1R P43220 2/20 0.38
▸ IL23R Q5VWK5 11/20 0.37

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
SCHEMBL17880425 0.97 MMP2 (0.38) ERBB2GLP1RIL23R
SCHEMBL17880461 0.71 KEAP1 (0.37) GLP1R
SCHEMBL29874494 0.67 ERAP2 (0.56) ERBB2GHSR
SCHEMBL19169248 0.65 ERAP2 (0.39) GHSR
SCHEMBL31573961 0.65 ERAP2 (0.56) ERBB2GHSR
SCHEMBL29353806 0.65 ERAP2 (0.60) GHSR
SCHEMBL10063464 0.65 GRB2 (0.39) GHSR
SCHEMBL31006926 0.65 MAGI3 (0.57) ERBB2GLP1R
SCHEMBL29427175 0.65 MAGI3 (0.59) ERBB2GLP1R
SCHEMBL8177170 0.65 ERBB2 (0.65) ERBB2GHSRGLP1RIL23R

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 ERBB2 888/4885GHSR 3033/4885GLP1R 266/4885

“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.