SCHEMBL7149265

SCHEMBL7149265

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(N)=O)C(C)C)[C@@H](C)O)[C@@H](C)O

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 18/20 0.60
▸ KEAP1 Q14145 1/20 0.56
▸ PTH1R Q03431 1/20 0.55

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
SCHEMBL7157397 0.92 IL23R (0.56) IL23RKEAP1
SCHEMBL7151611 0.92 IL23R (0.62) IL23R
SCHEMBL30595758 0.89 IL23R (0.57) IL23RKEAP1PTH1R
SCHEMBL7155308 0.89 IL23R (0.58) IL23R
SCHEMBL31234428 0.88 IL23R (0.57) IL23RKEAP1
SCHEMBL30185452 0.88 UTS2R (0.54) IL23RPTH1R
SCHEMBL30094127 0.87 IL23R (0.57) IL23RKEAP1PTH1R
SCHEMBL7157963 0.87 IL23R (0.62) IL23R
SCHEMBL7153463 0.86 KISS1R (0.57) IL23R
SCHEMBL7154197 0.85 KISS1R (0.61) IL23R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144211-A1 Peptide inhibitors of inflammation mediated by selectins CENTOCOR, INC. 2003-07-31 — — US disclosed
US-6528487-B1 Including GMP-140, ELAM-1, and lymphocyte-homing receptor. CENTOCOR, INC. 2003-03-04 — — US disclosed
EP-0608260-A1 PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS CENTOCOR, INC. (US) 1994-08-03 — — EP disclosed
WO-1993005070-A1 PEPTIDE INHIBITORS OF INFLAMMATION MEDIATED BY SELECTINS CENTOCOR, INC. (US) 1993-03-18 — — WO 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-20030144211-A1 Peptide inhibitors of inflammation mediated by selectins SELL, SELPLG, ELANE IL23R 651/4885KEAP1 4180/4885PTH1R 2557/4885

“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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