SCHEMBL18823533

SCHEMBL18823533

CC(C)[C@H](NC(=O)CCCOCCN)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 2/20 0.38
▸ CHRNG P07510 2/20 0.38
▸ CHRNB1 P11230 2/20 0.38
▸ CHRND Q07001 2/20 0.38
▸ MAP1LC3B Q9GZQ8 2/20 0.38
▸ SIRT5 Q9NXA8 1/20 0.38
▸ SIRT2 Q8IXJ6 8/20 0.37
▸ SIRT1 Q96EB6 7/20 0.37
▸ SIRT3 Q9NTG7 3/20 0.37
▸ FURIN P09958 2/20 0.36
▸ FAP Q12884 2/20 0.36
▸ HTT P42858 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
SCHEMBL19387330 0.96 SIRT5 (0.38) CHRNA1CHRNGCHRNB1CHRNDMAP1LC3B
SCHEMBL25615822 0.94 SIRT5 (0.41) CHRNA1CHRNGCHRNB1CHRNDSIRT5
SCHEMBL18823291 0.92 SIRT2 (0.41) SIRT5SIRT2SIRT1SIRT3FURIN
SCHEMBL18823292 0.92 SIRT2 (0.41) SIRT5SIRT2SIRT1SIRT3FURIN
SCHEMBL21230049 0.90 SIRT2 (0.43) SIRT5SIRT2SIRT1SIRT3FURIN
SCHEMBL25000070 0.90 SIRT2 (0.38) CHRNA1CHRNGCHRNB1CHRNDMAP1LC3B
SCHEMBL20616684 0.90 SIRT5 (0.38) MAP1LC3BSIRT5SIRT2SIRT1SIRT3
SCHEMBL20616683 0.90 SIRT5 (0.38) MAP1LC3BSIRT5SIRT2SIRT1SIRT3
SCHEMBL24068330 0.89 SIRT2 (0.46) SIRT2SIRT1SIRT3FURINHTT
SCHEMBL24068203 0.89 SIRT2 (0.46) SIRT2SIRT1SIRT3FURINHTT

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-20170119896-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MERSANA THERAPEUTICS, INC. 2017-05-04 — — 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-20170119896-A1 TERMINALLY MODIFIED POLYMERS AND CONJUGATES THEREOF MALT1, ALG1, PRMT3 CHRNA1 1367/4885CHRNG 946/4885CHRNB1 1263/4885

“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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