SCHEMBL8261480

SCHEMBL8261480

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nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.44
▸ ALB P02768 1/20 0.42
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.39
▸ SIRT1 Q96EB6 1/20 0.39
▸ FURIN P09958 1/20 0.38
▸ GNPAT O15228 2/20 0.37
▸ NOD1 Q9Y239 2/20 0.36
▸ PDE4A P27815 3/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ PDE4C Q08493 2/20 0.35
▸ PDE4D Q08499 2/20 0.35
▸ PADI1 Q9ULC6 2/20 0.35
▸ PADI4 Q9UM07 2/20 0.35
▸ PADI2 Q9Y2J8 2/20 0.35
▸ PADI6 Q6TGC4 1/20 0.35
▸ PADI3 Q9ULW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL22359335 0.86 GNPAT (0.50) ALBCHRM2CHRM4CHRM1SIRT6
SCHEMBL14951121 0.82 NOD1 (0.32) NOD1
SCHEMBL10064609 0.82 NOD1 (0.34) SIRT5ALBNOD1PDE4APDE4B
SCHEMBL12961585 0.81 SIRT5 (0.51) SIRT5ALBCHRM2CHRM4CHRM1
SCHEMBL14951733 0.80 GNPAT (0.34) GNPATNOD1
SCHEMBL14295763 0.80 NOD1 (0.33) SIRT5NOD1
SCHEMBL468949 0.79 KISS1R (0.36) NOD1KISS1R
SCHEMBL16299579 0.79 NOD1 (0.32) SIRT5NOD1
SCHEMBL24520157 0.78 SIRT6 (0.50) SIRT5ALBCHRM2CHRM4CHRM1
SCHEMBL3933327 0.78 SIRT6 (0.50) SIRT5ALBCHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110003756-A1 C5a Receptor Antagonists JERINI AG (DE) 2011-01-06 — — US disclosed
US-7727960-B2 C5a receptor antagonists JERINI AG (DE) 2010-06-01 — — US disclosed
US-7727960-B2 C5a receptor antagonists JERINI AG (DE) 2010-06-01 — — US disclosed
US-20080161232-A1 C5a is a cleavage product of the complement cascade, the CS convertase; antiinflammatory agents; autoimmune diseases; cyclic peptide compounds JERINI AG (DE) 2008-07-03 — — US disclosed
WO-2006074964-A1 C5A RECEPTOR ANTAGONISTS JERINI AG (DE) 2006-07-20 — — 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 (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-20110003756-A1 C5a Receptor Antagonists C5AR1, C3AR1, C5AR2 SIRT5 2059/4885ALB 1303/4885CHRM2 33/4885
US-20080161232-A1 C5a is a cleavage product of the complement cascade, the CS convertase; antiinflammatory agents; autoimmune diseases; cyclic peptide compounds C3AR1, C5, C5AR1 SIRT5 2845/4885ALB 1538/4885CHRM2 67/4885

“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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