SCHEMBL18530854

SCHEMBL18530854

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)[C@H](SCCCN(CC)C(C)C)C(=O)N(C)[C@@H](CC(C)(C)O)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.87
PPIB P23284 6/20 0.86
CYP3A4 P08684 2/20 0.86
CYP2C9 P11712 2/20 0.86
PPIF P30405 2/20 0.86
CYP2C19 P33261 2/20 0.86
ABCB11 O95342 2/20 0.67
ABCB1 P08183 2/20 0.67
ABCC2 Q92887 2/20 0.67
SLCO1B3 Q9NPD5 2/20 0.67
SLCO1B1 Q9Y6L6 2/20 0.67
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
ABCC3 O15438 1/20 0.64
GMNN O75496 1/20 0.64
USP2 O75604 1/20 0.64
SLCO2B1 O94956 1/20 0.64
LMNA P02545 1/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64

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
SCHEMBL18737266 0.96 PPIA (0.80) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183864 0.95 PPIA (0.94) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18530860 0.94 PPIA (0.77) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183092 0.93 PPIA (0.78) PPIAPPIBCYP3A4CYP2C9PPIF
Scy 635 SCHEMBL15183872 0.92 PPIA (1.00) PPIAPPIBCYP3A4CYP2C9PPIF
Scy 635 SCHEMBL29744188 0.92 PPIA (1.00) PPIAPPIBCYP3A4CYP2C9PPIF
Scy 635 SCHEMBL15183874 0.92 PPIA (1.00) PPIAPPIBCYP3A4CYP2C9PPIF
Scy 635 SCHEMBL21765630 0.92 PPIA (1.00) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18737378 0.91 PPIA (0.86) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL18720066 0.91 PPIA (0.80) PPIAPPIBCYP3A4CYP2C9PPIF

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 2 patents. 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
US-9573978-B2 Cyclosporin derivatives for the treatment and prevention of a viral infection S&T GLOBAL, INC. (US) 2017-02-21 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 PPIA 610/4885PPIB 297/4885CYP3A4 257/4885

“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.