SCHEMBL7154339

SCHEMBL7154339

CC(C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)CCCNC(=N)N)C(C)C)C(C)C)C(C)C)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 5/20 0.56
▸ IL23R Q5VWK5 11/20 0.55
▸ GHSR Q92847 3/20 0.53
▸ NPY2R P49146 1/20 0.53
▸ UTS2R Q9UKP6 1/20 0.51

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
SCHEMBL7154343 1.00 KISS1R (0.56) KISS1RIL23RGHSRNPY2RUTS2R
SCHEMBL7174314 0.97 IL23R (0.57) KISS1RIL23RGHSRNPY2R
SCHEMBL7174332 0.97 IL23R (0.57) KISS1RIL23RGHSRNPY2R
SCHEMBL7153463 0.95 KISS1R (0.57) KISS1RIL23RGHSRNPY2RUTS2R
SCHEMBL29379367 0.95 GHSR (0.55) IL23RGHSR
SCHEMBL30130542 0.94 IL23R (0.55) KISS1RIL23RGHSR
SCHEMBL30130526 0.94 IL23R (0.55) KISS1RIL23RGHSR
SCHEMBL30093017 0.93 GHSR (0.55) KISS1RIL23RGHSR
SCHEMBL30092977 0.93 GHSR (0.55) KISS1RIL23RGHSR
SCHEMBL31110538 0.93 KISS1R (0.54) KISS1RIL23RGHSRNPY2R

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 KISS1R 3013/4885IL23R 651/4885GHSR 705/4885

“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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