SCHEMBL954750

SCHEMBL954750

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nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.74
PPIB P23284 19/20 0.74
SLCO1B1 Q9Y6L6 4/20 0.74
ABCB11 O95342 1/20 0.71
ABCB1 P08183 1/20 0.71
ABCC2 Q92887 1/20 0.71
SLCO1B3 Q9NPD5 1/20 0.71

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
SCHEMBL12946996 1.00 PPIA (0.74) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL954752 1.00 PPIA (0.74) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL958035 0.96 PPIA (0.76) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL958036 0.96 PPIA (0.76) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL952402 0.94 PPIA (0.74) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL952403 0.94 PPIA (0.74) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL952172 0.93 PPIA (0.76) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL952174 0.93 PPIA (0.76) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL954002 0.93 PPIA (0.69) PPIAPPIBSLCO1B1ABCB11ABCB1
SCHEMBL954003 0.93 PPIA (0.69) PPIAPPIBSLCO1B1ABCB11ABCB1

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
EP-1957518-B1 NEW CYCLIC PEPTIDE COMPOUNDS ASTELLAS PHARMA INC (JP) 2015-12-09 EP disclosed
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.