SCHEMBL7553789

SCHEMBL7553789

CC(C)CC(N)C(=O)NCC(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.53
▸ OPRD1 P41143 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ OPRM1 P35372 2/20 0.50
▸ OPRK1 P41145 2/20 0.50
▸ LAP3 P28838 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SLC7A5 Q01650 1/20 0.47
▸ LTA4H P09960 1/20 0.44
▸ FOLH1 Q04609 2/20 0.43
▸ GRN P28799 1/20 0.42
▸ SORT1 Q99523 1/20 0.42
▸ MME P08473 1/20 0.42

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
SCHEMBL7150981 1.00 MAPT (0.53) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL30661448 0.97 OPRD1 (0.53) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL30661446 0.97 OPRD1 (0.53) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL29414403 0.93 MAPT (0.49) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL29630425 0.91 OPRD1 (0.55) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL30285977 0.91 OPRD1 (0.49) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL29700057 0.91 MME (0.54) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL29815598 0.90 PTGS1 (0.49) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL29544382 0.90 MME (0.44) MAPTOPRD1ALDH1A1OPRM1OPRK1
SCHEMBL29590916 0.89 ALDH1A1 (0.51) MAPTOPRD1ALDH1A1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020173452-A1 Cytostatic-glycoconjugates having specifically cleavable linking units BAYER AKTIENGESELLSCHAFT (DE) 2002-11-21 — — US disclosed
WO-2002051862-A2 CYTOSTATIC-GLYCOCONJUGATES HAVING SPECIFICALLY CLEAVABLE PEPTIDICLINKING UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 — — WO disclosed
EP-1219634-A1 Cytostatic-glycoconjugates having specifically cleavable peptidic linking units Bayer Aktiengesellschaft (DE) 2002-07-03 — — EP 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-20020173452-A1 Cytostatic-glycoconjugates having specifically cleavable linking units CTSE, CTSL, CTSZ MAPT 1444/4885OPRD1 4478/4885ALDH1A1 3165/4885

“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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