SCHEMBL13227437

SCHEMBL13227437

CC(O)[C@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC=O)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.43
▸ OPRL1 P41146 7/20 0.39
▸ FOLH1 Q04609 1/20 0.39
▸ IL23R Q5VWK5 3/20 0.38
▸ NOD1 Q9Y239 1/20 0.37

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
SCHEMBL29826102 0.85 KEAP1 (0.46) KEAP1OPRL1IL23R
SCHEMBL29759478 0.83 KEAP1 (0.40) KEAP1OPRL1
SCHEMBL26426461 0.81 KEAP1 (0.40) KEAP1FOLH1
SCHEMBL29826494 0.80 FOLH1 (0.47) KEAP1OPRL1FOLH1NOD1
SCHEMBL13254722 0.77 IL23R (0.54) IL23R
SCHEMBL13209217 0.77 IL23R (0.61) IL23R
SCHEMBL22342398 0.77 TLR2 (0.47) KEAP1FOLH1NOD1
SCHEMBL29826021 0.76 SLC6A5 (0.45) OPRL1FOLH1
SCHEMBL15358627 0.76 TLR2 (0.40) —
SCHEMBL27915864 0.75 OPRL1 (0.54) OPRL1

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-20100196282-A1 OPTICAL IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2010-08-05 — — 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-20100196282-A1 OPTICAL IMAGING AGENTS VIP, SSTR4, NGLY1 KEAP1 1613/4885OPRL1 585/4885FOLH1 151/4885

“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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