SCHEMBL20067682

SCHEMBL20067682

COC(=O)C(CCCCN)NC(=O)CC(C)(C)OCCC(C)(C)OCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.33
▸ ERAP2 Q6P179 5/20 0.32
▸ LNPEP Q9UIQ6 5/20 0.32
▸ GHSR Q92847 1/20 0.32
▸ ERAP1 Q9NZ08 2/20 0.31
▸ RRM1 P23921 1/20 0.31
▸ AKT1 P31749 1/20 0.30

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
SCHEMBL20067717 0.90 RRM1 (0.34) GHSRRRM1AKT1
SCHEMBL19575071 0.82 SMN1; SMN2 (0.34) AKT1
SCHEMBL16453450 0.81 GLP1R (0.39) CNR2ERAP2LNPEPGHSRERAP1
SCHEMBL26521168 0.80 SMN1; SMN2 (0.36) AKT1
SCHEMBL18494046 0.76 LMNA (0.36) AKT1
SCHEMBL22421821 0.75 PTGS1 (0.39) AKT1
SCHEMBL27270386 0.75 SMN1; SMN2 (0.35) AKT1
SCHEMBL19444592 0.74 POLB (0.32) AKT1
SCHEMBL25575447 0.74 TSHR (0.36) —
SCHEMBL15096515 0.74 CNR2 (0.45) CNR2

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-20180104353-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF INVICTUS ONCOLOGY PVT. LTD. (IN) 2018-04-19 — — 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-20180104353-A1 LIGAND-TARGETED MOLECULES AND METHODS THEREOF HLCS, PAICS, CLTC CNR2 2340/4885ERAP2 2426/4885LNPEP 38/4885

“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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