SCHEMBL953684

SCHEMBL953684

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nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 0.82
FPR1 P21462 6/20 0.82
PPIA P62937 5/20 0.81
MEN1 O00255 1/20 0.79
NPC1 O15118 1/20 0.79
ABCC3 O15438 1/20 0.79
GMNN O75496 1/20 0.79
USP2 O75604 1/20 0.79
SLCO2B1 O94956 1/20 0.79
ABCB11 O95342 1/20 0.79
LMNA P02545 1/20 0.79
POLB P06746 1/20 0.79
CYP3A4 P08684 1/20 0.79
MAPT P10636 1/20 0.79
RARB P10826 1/20 0.79
CYP2C9 P11712 1/20 0.79
CYP3A5 P20815 1/20 0.79
TACR2 P21452 1/20 0.79
PPIB P23284 1/20 0.79
CYP3A7 P24462 1/20 0.79

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
SCHEMBL953685 1.00 ABCB1 (0.82) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL13379663 1.00 ABCB1 (0.82) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL13379674 0.96 ABCB1 (0.76) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL13379673 0.96 ABCB1 (0.76) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL13379677 0.95 PPIA (0.81) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL13379672 0.94 ABCB1 (0.82) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL439348 0.93 ABCB1 (0.89) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL22032784 0.93 ABCB1 (0.89) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL954591 0.93 ABCB1 (0.72) ABCB1FPR1PPIAMEN1NPC1
SCHEMBL954590 0.93 ABCB1 (0.72) ABCB1FPR1PPIAMEN1NPC1

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 9 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-7696167-B2 Cyclic peptide compound ASTELLAS PHARMA INC. (JP) 2010-04-13 US disclosed
US-7696167-B2 Cyclic peptide compound ASTELLAS PHARMA INC. (JP) 2010-04-13 US disclosed
US-20090170755-A1 Cyclic Peptide Compounds ASTELLAS PHARMA INC. (JP) 2009-07-02 US disclosed
US-20080214447-A1 Cyclic Peptide Compound ASTELLAS PHARMA INC. (JP) 2008-09-04 US disclosed
US-20080214447-A1 Cyclic Peptide Compound ASTELLAS PHARMA INC. (JP) 2008-09-04 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 (3 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 ABCB1 3186/4885FPR1 1063/4885PPIA 1681/4885
US-20100286033-A1 NEW CYCLIC PEPTIDE COMPOUNDS VIP, HAVCR2, EIF2AK2 ABCB1 3433/4885FPR1 1256/4885PPIA 1850/4885
US-20080214447-A1 Cyclic Peptide Compound VIP, NGLY1, PROKR1 ABCB1 3198/4885FPR1 217/4885PPIA 1883/4885

“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.