SCHEMBL954540

SCHEMBL954540

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nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 19/20 0.77
PPIB P23284 15/20 0.77
SLCO1B1 Q9Y6L6 5/20 0.72
ABCB1 P08183 3/20 0.71
ABCB11 O95342 2/20 0.71
ABCC2 Q92887 2/20 0.71
SLCO1B3 Q9NPD5 2/20 0.71
MEN1 O00255 1/20 0.71
NPC1 O15118 1/20 0.71
ABCC3 O15438 1/20 0.71
GMNN O75496 1/20 0.71
USP2 O75604 1/20 0.71
SLCO2B1 O94956 1/20 0.71
LMNA P02545 1/20 0.71
POLB P06746 1/20 0.71
CYP3A4 P08684 1/20 0.71
MAPT P10636 1/20 0.71
RARB P10826 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP3A5 P20815 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
SCHEMBL954539 1.00 PPIA (0.77) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL953003 0.94 PPIA (0.76) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL953004 0.94 PPIA (0.76) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL952174 0.93 PPIA (0.76) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL952172 0.93 PPIA (0.76) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL958036 0.90 PPIA (0.76) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL958035 0.90 PPIA (0.76) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL15183395 0.90 PPIA (0.89) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL16657072 0.90 PPIA (0.88) PPIAPPIBSLCO1B1ABCB1ABCB11
SCHEMBL20076351 0.90 PPIA (0.89) PPIAPPIBSLCO1B1ABCB1ABCB11

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.