SCHEMBL15810600

SCHEMBL15810600

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 1/20 0.43
▸ LTA4H P09960 2/20 0.43
▸ PDF Q9HBH1 1/20 0.41
▸ SSTR3 P32745 1/20 0.41
▸ FURIN P09958 2/20 0.40
▸ MMP3 P08254 2/20 0.40
▸ SPHK1 Q9NYA1 4/20 0.39
▸ SIRT1 Q96EB6 4/20 0.38
▸ SIRT2 Q8IXJ6 3/20 0.38
▸ PLG P00747 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ SIRT3 Q9NTG7 2/20 0.37

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
SCHEMBL29335395 0.87 KLKB1 (0.43) KLKB1LTA4HPDFSSTR3FURIN
SCHEMBL21897675 0.87 NPY4R (0.41) FURINSIRT1SIRT2NPC1RAB9A
SCHEMBL16645118 0.85 FURIN (0.47) KLKB1LTA4HPDFSSTR3FURIN
SCHEMBL24864484 0.84 KLKB1 (0.47) KLKB1LTA4HPDFSSTR3MMP3
SCHEMBL21726052 0.83 CA1 (0.51) KLKB1LTA4HPDFSSTR3MMP3
SCHEMBL16418621 0.82 KLKB1 (0.49) KLKB1LTA4HPDFSSTR3MMP3
SCHEMBL16771793 0.81 LTA4H (0.38) LTA4HFURINSPHK1SIRT1SIRT2
SCHEMBL16946450 0.80 FURIN (0.42) KLKB1LTA4HPDFSSTR3FURIN
SCHEMBL24774255 0.80 LTA4H (0.49) KLKB1LTA4HPDFSSTR3MMP3
SCHEMBL16479322 0.80 SSTR3 (0.53) LTA4HSSTR3MMP3SIRT1SIRT2

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-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PFIZER INC. 2015-07-30 — — US disclosed
WO-2014093394-A1 PROTEIN-POLYMER-DRUG CONJUGATES MERSANA THERAPEUTICS, INC. (US) 2014-06-19 — — WO disclosed
WO-2014093640-A1 HYDROXY-POLMER-DRUG-PROTEIN CONJUGATES MERSANA THERAPEUTICS,INC. (US) 2014-06-19 — — WO 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-20150209445-A1 BIFUNCTIONAL CYTOTOXIC AGENTS PAICS, CYTH3, CYTH2 KLKB1 1725/4885LTA4H 4273/4885PDF 2550/4885

“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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