Sugi Predict

Sugi Predict / Compounds / SCHEMBL7157963

SCHEMBL7157963

SCHEMBL7157963

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 16/20 0.62
▸ GRPR P30550 1/20 0.62
▸ NPBWR1 P48145 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58

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
SCHEMBL7156278 0.97 IL23R (0.63) IL23RGRPRRXFP1
SCHEMBL7151611 0.89 IL23R (0.62) IL23R
SCHEMBL31593300 0.88 IL23R (0.60) IL23RNPBWR1
SCHEMBL30658210 0.88 GLP1R (0.65) IL23R
SCHEMBL31169784 0.88 IL23R (0.69) IL23R
SCHEMBL30658325 0.87 RXFP1 (0.69) RXFP1
SCHEMBL7149265 0.87 IL23R (0.60) IL23R
SCHEMBL7155308 0.87 IL23R (0.58) IL23R
SCHEMBL7154197 0.87 KISS1R (0.61) IL23R
SCHEMBL7154208 0.87 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 651/4885GRPR 166/4885NPBWR1 83/4885

“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