SCHEMBL13569367

SCHEMBL13569367

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nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30

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
SCHEMBL13273562 1.00 ALOX15 (0.33) ALOX15ALOX12ALDH1A1MMP2MMP9
SCHEMBL16021225 0.87 ALOX15 (0.35) ALOX15ALOX12MMP2MMP9MMP8
SCHEMBL8931834 0.86 ALDH1A1 (0.33) ALDH1A1MMP9MMP8
SCHEMBL15384680 0.83 MMP9 (0.35) ALOX15ALOX12MMP2MMP9MMP8
SCHEMBL17920099 0.81 MMP9 (0.37) ALOX15ALOX12ALDH1A1MMP2MMP9
SCHEMBL13183932 0.81 MMP8 (0.30) ALDH1A1MMP9MMP8
SCHEMBL10281212 0.81 ALOX15 (0.32) ALOX15ALOX12
SCHEMBL1709991 0.81 MMP1 (0.32) MMP9
SCHEMBL15187001 0.80 ALOX15 (0.36) ALOX15ALOX12ALDH1A1
SCHEMBL1709985 0.76 BACE1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090671-B2 Macrocyclic peptides SCYNEXIS, INC. (US) 2015-07-28 US disclosed
WO-2013028615-A2 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS S&T GOLBAL INC. (US) 2013-02-28 WO disclosed
US-20090312300-A1 NOVEL MACROCYCLIC PEPTIDES CYPRALIS LIMITED (GB) 2009-12-17 US disclosed
US-20090306033-A1 NOVEL CYCLIC PEPTIDES SCYNEXIS, INC. 2009-12-10 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 (2 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-20090306033-A1 NOVEL CYCLIC PEPTIDES VIP, NGLY1, GRPR ALOX15 4021/4885ALOX12 4151/4885ALDH1A1 3975/4885
US-20090312300-A1 NOVEL MACROCYCLIC PEPTIDES CHP1, SARS1, HAVCR2 ALOX15 4400/4885ALOX12 4613/4885ALDH1A1 4864/4885

“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.