SCHEMBL20076040

SCHEMBL20076040

C/C=C/C[C@@H](C)C[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)C(CO)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)[C@H](CCC(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 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.75
PPIA P62937 17/20 0.70
PPIB P23284 14/20 0.70
SLCO1B1 Q9Y6L6 4/20 0.67
ABCB11 O95342 2/20 0.67
ABCC2 Q92887 2/20 0.67
SLCO1B3 Q9NPD5 2/20 0.67
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.65
ABCC3 O15438 1/20 0.65
GMNN O75496 1/20 0.65
USP2 O75604 1/20 0.65
SLCO2B1 O94956 1/20 0.65
LMNA P02545 1/20 0.65
POLB P06746 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
RARB P10826 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP3A5 P20815 1/20 0.65

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
SCHEMBL19861394 1.00 ABCB1 (0.75) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL21016056 0.96 ABCB1 (0.81) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL19861268 0.95 PPIA (0.79) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL19861409 0.92 PPIA (0.83) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL21015614 0.91 ABCB1 (0.71) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL21016356 0.91 ABCB1 (0.82) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL19861202 0.90 PPIA (0.83) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL19861117 0.90 PPIA (0.83) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL20076092 0.90 ABCB1 (0.65) ABCB1PPIAPPIBSLCO1B1ABCB11
SCHEMBL20076061 0.90 ABCB1 (0.71) ABCB1PPIAPPIBSLCO1B1ABCB11

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-10647747-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2020-05-12 US disclosed
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2018-04-19 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-10647747-B2 Cyclosporin derivatives and uses thereof FKBP5, FKBP1B, MALT1 ABCB1 332/4885PPIA 403/4885PPIB 35/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ABCB1 456/4885PPIA 435/4885PPIB 39/4885

“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.