SCHEMBL29407159

SCHEMBL29407159

CSCC[C@H](NC(=O)C(CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 3/20 0.52
▸ GRPR P30550 4/20 0.49
▸ CCKBR P32239 4/20 0.48
▸ REN P00797 1/20 0.47

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
SCHEMBL29816574 0.96 KEAP1 (0.49) KEAP1GRPRCCKBRREN
SCHEMBL31332128 0.89 KDM1A (0.57) KEAP1REN
SCHEMBL30231927 0.85 REN (0.57) REN
SCHEMBL11309694 0.85 OPRM1 (0.52) CCKBR
SCHEMBL11309707 0.85 OPRM1 (0.52) CCKBR
SCHEMBL29351536 0.83 OPRM1 (0.54) CCKBR
SCHEMBL30325318 0.82 CTSC (0.47) KEAP1REN
SCHEMBL22686941 0.81 REN (0.56) REN
SCHEMBL30892690 0.81 CALCRL (0.50) KEAP1CCKBRREN
SCHEMBL31154661 0.81 MAPK8 (0.48) KEAP1CCKBRREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220288028-A1 A THERAPEUTIC APPROACH FOR TREATING NON-INFECTIOUS OCULAR IMMUNOINFLAMMATORY DISORDERS THE SCHEPENS EYE RESEARCH INSTITUTE, INC. 2022-09-15 — — US disclosed
CN-114206849-A Therapeutic methods for treating non-infectious ocular immunoinflammatory disorders 斯格本斯眼科研究所有限公司 2022-03-18 — — CN 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-20220288028-A1 A THERAPEUTIC APPROACH FOR TREATING NON-INFECTIOUS OCULAR IMMUNOINFLAMMATORY DISORDERS MSR1, LTB4R2, LTB4R KEAP1 2295/4885GRPR 249/4885CCKBR 940/4885

“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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