SCHEMBL12082720

SCHEMBL12082720

CC(C)(C)SC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSC(C)(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CSCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N1)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 9/20 0.56
▸ BCL2L1 Q07817 1/20 0.47
▸ BAD Q92934 1/20 0.47
▸ BECN1 Q14457 7/20 0.45
▸ TSLP Q969D9 1/20 0.43
▸ OPRL1 P41146 1/20 0.43
▸ F12 P00748 1/20 0.43

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
SCHEMBL13287934 0.95 IL23R (0.52) IL23RBCL2L1BADBECN1OPRL1
SCHEMBL12082795 0.84 IL23R (0.52) IL23RTSLPF12
SCHEMBL13287941 0.79 SSTR2 (0.50) IL23RBCL2L1BAD
SCHEMBL13113566 0.78 SSTR2 (0.50) IL23RBCL2L1BAD
SCHEMBL13659868 0.78 IL23R (0.48) IL23R
SCHEMBL13659873 0.77 IL23R (0.45) IL23RBCL2L1BAD
SCHEMBL12082890 0.77 IL23R (0.50) IL23ROPRL1
SCHEMBL10046387 0.74 TFPI (0.47) IL23ROPRL1
SCHEMBL31181296 0.74 IL23R (0.48) IL23ROPRL1
SCHEMBL23057565 0.73 IL23R (0.51) IL23ROPRL1

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-8258101-B2 Peptide-based compounds GE HEALTHCARE AS (NO) 2012-09-04 — — US disclosed
US-20100256330-A1 Peptide-based compounds CUTHBERTSON ALAN 2010-10-07 — — 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-20100256330-A1 Peptide-based compounds VCAM1, FLT4, KDR IL23R 295/4885BCL2L1 1836/4885BAD 864/4885

“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.

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