SCHEMBL10046387

SCHEMBL10046387

CSCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CSC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CSC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.47
▸ OPRL1 P41146 2/20 0.46
▸ IL23R Q5VWK5 10/20 0.46
▸ KEAP1 Q14145 1/20 0.45

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
SCHEMBL23057565 0.87 IL23R (0.51) TFPIOPRL1IL23R
SCHEMBL10046542 0.87 IL23R (0.51) TFPIOPRL1IL23R
SCHEMBL31181296 0.86 IL23R (0.48) TFPIOPRL1IL23RKEAP1
SCHEMBL31181281 0.86 IL23R (0.50) TFPIOPRL1IL23RKEAP1
SCHEMBL16349703 0.86 IL23R (0.50) TFPIOPRL1IL23R
SCHEMBL12082890 0.86 IL23R (0.50) TFPIOPRL1IL23R
SCHEMBL20809945 0.85 IL23R (0.52) IL23R
SCHEMBL22382220 0.84 IL23R (0.51) OPRL1IL23R
SCHEMBL13703199 0.84 IL23R (0.51) OPRL1IL23R
SCHEMBL22003315 0.84 IL23R (0.48) TFPIOPRL1IL23R

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-8299030-B2 Peptide-based compounds GE HEALTHCARE LIMITED (GB) 2012-10-30 — — US disclosed
US-20120020882-A1 PEPTIDE-BASED COMPOUNDS GE HEALTHCARE AS (NO) 2012-01-26 — — 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-20120020882-A1 PEPTIDE-BASED COMPOUNDS ITGB3, ITGAV, SELPLG TFPI 717/4885OPRL1 541/4885IL23R 973/4885

“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.

Send feedback