SCHEMBL16645118

SCHEMBL16645118

COCc1ccc(NC(=O)[C@@H](CCCN)NC(=O)[C@H](NC(=O)CCN)C(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 5/20 0.47
▸ KLKB1 P03952 1/20 0.43
▸ CALCRL Q16602 1/20 0.42
▸ SSTR3 P32745 1/20 0.41
▸ LTA4H P09960 2/20 0.40
▸ MMP3 P08254 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ PLG P00747 1/20 0.39
▸ PDF Q9HBH1 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ SIRT1 Q96EB6 3/20 0.38
▸ SIRT2 Q8IXJ6 2/20 0.38
▸ SIRT3 Q9NTG7 2/20 0.38

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
SCHEMBL16946450 0.91 FURIN (0.42) FURINKLKB1CALCRLSSTR3LTA4H
SCHEMBL16645085 0.89 FURIN (0.45) FURINKLKB1CALCRLSSTR3MMP3
SCHEMBL15810600 0.85 KLKB1 (0.43) FURINKLKB1SSTR3LTA4HMMP3
SCHEMBL17752524 0.84 CTSL (0.43) FURINKLKB1CALCRLMMP3SIRT1
SCHEMBL15686242 0.82 NMT2 (0.45) FURINKLKB1CALCRLSSTR3PLG
SCHEMBL25064729 0.82 NPY5R (0.44) FURINSIRT5SIRT1SIRT2SIRT3
SCHEMBL23515087 0.82 SIRT2 (0.46) FURINSIRT1SIRT2SIRT3
SCHEMBL24906651 0.82 SIRT1 (0.45) FURINKLKB1SSTR3MMP3PDF
SCHEMBL24390289 0.82 SIRT1 (0.45) FURINKLKB1SSTR3MMP3PDF
SCHEMBL26192867 0.82 MMP3 (0.43) FURINKLKB1CALCRLSSTR3LTA4H

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-20150104407-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. 2015-04-16 — — 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-20150104407-A1 PROTEIN-POLYMER-DRUG CONJUGATES PBRM1, STAMBP, TSPO FURIN 3298/4885KLKB1 3486/4885CALCRL 3765/4885

“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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