SCHEMBL953429

SCHEMBL953429

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nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.72
PPIB P23284 18/20 0.72
SLCO1B1 Q9Y6L6 4/20 0.67

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
SCHEMBL953426 1.00 PPIA (0.72) PPIAPPIBSLCO1B1
SCHEMBL3754684 0.95 PPIA (0.75) PPIAPPIBSLCO1B1
SCHEMBL3754690 0.95 PPIA (0.75) PPIAPPIBSLCO1B1
SCHEMBL17310412 0.95 PPIA (0.75) PPIAPPIBSLCO1B1
SCHEMBL954312 0.90 PPIA (0.69) PPIAPPIBSLCO1B1
SCHEMBL954311 0.90 PPIA (0.69) PPIAPPIBSLCO1B1
SCHEMBL17310416 0.90 PPIA (0.69) PPIAPPIBSLCO1B1
SCHEMBL17310414 0.90 PPIA (0.69) PPIAPPIBSLCO1B1
SCHEMBL954309 0.90 PPIA (0.69) PPIAPPIBSLCO1B1
SCHEMBL956367 0.89 PPIA (0.66) PPIAPPIBSLCO1B1

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-8252895-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2012-08-28 US disclosed
US-7872097-B2 Cyclic peptide compounds ASTELLAS PHARMA INC. (JP) 2011-01-18 US disclosed
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC. 2010-11-11 US disclosed
US-20090170755-A1 Cyclic Peptide Compounds ASTELLAS PHARMA INC. (JP) 2009-07-02 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-20090170755-A1 Cyclic Peptide Compounds VIP, HAVCR2, EIF2AK2 PPIA 1681/4885PPIB 2157/4885SLCO1B1 4679/4885
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, EIF2AK2 PPIA 1850/4885PPIB 2194/4885SLCO1B1 4674/4885

“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.