SCHEMBL17752524

SCHEMBL17752524

CC(C)[C@H](NC(=O)CCCCCN)C(=O)N[C@@H](CCCN)C(=O)Nc1ccc(COC(N)=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.43
▸ FURIN P09958 2/20 0.43
▸ CALCRL Q16602 1/20 0.42
▸ MMP3 P08254 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ SIRT2 Q8IXJ6 8/20 0.40
▸ SIRT1 Q96EB6 6/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ SIRT3 Q9NTG7 4/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ NMT2 O60551 1/20 0.40
▸ NMT1 P30419 1/20 0.40
▸ HDAC2 Q92769 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL16156452 0.93 SIRT2 (0.42) FURINSIRT2SIRT1ROCK2SIRT3
SCHEMBL15686242 0.87 NMT2 (0.45) CTSLFURINCALCRLKLKB1ROCK2
SCHEMBL19687799 0.87 SIRT2 (0.42) FURINSIRT2SIRT1ROCK2SIRT3
SCHEMBL19687798 0.87 SIRT2 (0.42) FURINSIRT2SIRT1ROCK2SIRT3
SCHEMBL18556695 0.87 SIRT2 (0.42) FURINSIRT2SIRT1SIRT3HTT
SCHEMBL14887361 0.87 SIRT2 (0.42) FURINSIRT2SIRT1ROCK2SIRT3
SCHEMBL16091818 0.86 SIRT2 (0.41) FURINSIRT2SIRT1SIRT3HTT
SCHEMBL15606204 0.86 SIRT2 (0.41) FURINSIRT2SIRT1ROCK2SIRT3
SCHEMBL26257608 0.85 SIRT2 (0.43) CTSLFURINSIRT2SIRT1ROCK2
SCHEMBL19647265 0.85 SIRT2 (0.42) FURINSIRT2SIRT1SIRT3HDAC1

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-20160136299-A1 GLYCOENGINEERED ANTIBODY DRUG CONJUGATES GENZYME CORPORATION 2016-05-19 — — 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-20160136299-A1 GLYCOENGINEERED ANTIBODY DRUG CONJUGATES CD2BP2, B3GAT3, SIGLEC7 CTSL 2085/4885FURIN 421/4885CALCRL 4054/4885

“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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