SCHEMBL23600801

SCHEMBL23600801

CSCCC(NC(C)=O)C(=O)N1CCCC1C(=O)N[C@H](CS)C(=O)NCC(N)=O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ NMUR2 Q9GZQ4 1/20 0.37
▸ NMUR1 Q9HB89 1/20 0.37
▸ F2 P00734 1/20 0.37
▸ NAA50 Q9GZZ1 1/20 0.37
▸ FNTA P49354 3/20 0.37
▸ FNTB P49356 3/20 0.37
▸ PPID Q08752 3/20 0.36
▸ PPIG Q13427 1/20 0.36

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
SCHEMBL23572657 1.00 APLNR (0.39) APLNRTSHRNMUR2NMUR1F2
SCHEMBL23572656 1.00 APLNR (0.39) APLNRTSHRNMUR2NMUR1F2
SCHEMBL1373230 0.86 APLNR (0.44) APLNRNMUR2NMUR1
SCHEMBL1373233 0.86 APLNR (0.44) APLNRNMUR2NMUR1
SCHEMBL23572611 0.82 NMUR2 (0.44) NMUR2NMUR1
SCHEMBL23601291 0.82 NMUR2 (0.44) NMUR2NMUR1
SCHEMBL23572613 0.82 NMUR2 (0.44) NMUR2NMUR1
SCHEMBL23572612 0.82 NMUR2 (0.44) NMUR2NMUR1
SCHEMBL16557291 0.80 PPID (0.42) TSHRNAA50PPIDPPIG
SCHEMBL15232950 0.79 OPRM1 (0.48) F2

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 APLNR 249/4885TSHR 890/4885NMUR2 3019/4885

“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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