SCHEMBL23601291

SCHEMBL23601291

CSCC[C@H](NC(=O)C(CCC(=O)O)NC(C)=O)C(=O)N1CCCC1C(=O)N[C@H](CS)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 2/20 0.44
▸ NMUR1 Q9HB89 1/20 0.44
▸ CXCL8 P10145 8/20 0.43
▸ CTSL P07711 3/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 3/20 0.41
▸ CTSH P09668 1/20 0.41
▸ OPRM1 P35372 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40

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
SCHEMBL23572611 1.00 NMUR2 (0.44) NMUR2NMUR1CXCL8CTSLCTSS
SCHEMBL23572613 1.00 NMUR2 (0.44) NMUR2NMUR1CXCL8CTSLCTSS
SCHEMBL23572612 1.00 NMUR2 (0.44) NMUR2NMUR1CXCL8CTSLCTSS
SCHEMBL30819303 0.89 NMUR2 (0.39) NMUR2NMUR1CXCL8OPRM1OPRD1
SCHEMBL23600922 0.89 NMUR2 (0.39) NMUR2NMUR1CXCL8OPRM1OPRD1
SCHEMBL23600921 0.89 NMUR2 (0.39) NMUR2NMUR1CXCL8OPRM1OPRD1
SCHEMBL30872268 0.84 CAPN1 (0.46) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL31157707 0.83 CTSL (0.51) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL23572621 0.82 CXCL8 (0.48) CXCL8CTSLCTSSCTSKCTSH
SCHEMBL23572657 0.82 APLNR (0.39) NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210196717-A1 TOLL-LIKE RECEPTOR 4 (TLR4) INHIBITORS AND USE THEREOF BAR-ILAN UNIVERSITY (IL) 2021-07-01 — — 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-20210196717-A1 TOLL-LIKE RECEPTOR 4 (TLR4) INHIBITORS AND USE THEREOF TLR4, TLR1, TLR3 NMUR2 3019/4885NMUR1 2527/4885CXCL8 922/4885

“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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