SCHEMBL18737282

SCHEMBL18737282

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nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.85
PPIA P62937 5/20 0.83
FKBP1B P68106 2/20 0.83
PPP3CA Q08209 2/20 0.83
MEN1 O00255 1/20 0.83
NPC1 O15118 1/20 0.83
ABCC3 O15438 1/20 0.83
GMNN O75496 1/20 0.83
USP2 O75604 1/20 0.83
SLCO2B1 O94956 1/20 0.83
ABCB11 O95342 1/20 0.83
LMNA P02545 1/20 0.83
POLB P06746 1/20 0.83
CYP3A4 P08684 1/20 0.83
MAPT P10636 1/20 0.83
RARB P10826 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP3A5 P20815 1/20 0.83
TACR2 P21452 1/20 0.83
PPIB P23284 1/20 0.83

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
Geclosporin SCHEMBL2110698 0.96 ABCB1 (0.91) ABCB1PPIAFKBP1BPPP3CAMEN1
Geclosporin SCHEMBL7791 0.96 ABCB1 (0.91) ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL18720089 0.96 ABCB1 (0.91) ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL17921935 0.93 ABCB1 (0.94) ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL22840735 0.93 ABCB1 (0.94) ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL18737000 0.93 ABCB1 (0.86) ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL23110295 0.92 PPIA (0.89) ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL16274167 0.92 ABCB1 (0.94) ABCB1PPIAFKBP1BPPP3CAMEN1
SCHEMBL13652544 0.92 ABCB1 (0.94) ABCB1PPIAFKBP1BPPP3CAMEN1
Cyclosporine SCHEMBL4459071 0.91 ABCB1 (0.97) ABCB1PPIAFKBP1BPPP3CAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC. 2017-04-13 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 (1 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-20170101445-A1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION HAVCR2, TSLP, HLA-DRB1 ABCB1 198/4885PPIA 610/4885FKBP1B 32/4885

“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.