SCHEMBL20076340

SCHEMBL20076340

C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CCC)C(=O)N(C)[C@H](COCCN2CCOCC2)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 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.73
SLCO1B1 Q9Y6L6 4/20 0.73
PPIB P23284 12/20 0.68
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63
PPIF P30405 1/20 0.63
CYP2C19 P33261 1/20 0.63

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
SCHEMBL15183316 0.96 PPIA (0.80) PPIASLCO1B1PPIBCYP3A4CYP2C9
SCHEMBL15183344 0.94 PPIA (0.78) PPIASLCO1B1PPIBCYP3A4CYP2C9
SCHEMBL19861212 0.93 PPIA (0.74) PPIASLCO1B1PPIBCYP3A4CYP2C9
SCHEMBL15183330 0.91 PPIA (0.81) PPIASLCO1B1PPIBCYP3A4CYP2C9
SCHEMBL15182952 0.91 PPIA (0.86) PPIASLCO1B1PPIBPPIF
SCHEMBL15183310 0.91 PPIA (0.81) PPIASLCO1B1PPIBCYP3A4CYP2C9
SCHEMBL15183374 0.90 PPIA (0.78) PPIASLCO1B1PPIBPPIF
SCHEMBL19861467 0.90 PPIA (0.78) PPIASLCO1B1PPIBCYP3A4CYP2C9
SCHEMBL17523723 0.89 PPIA (0.80) PPIASLCO1B1PPIBCYP3A4CYP2C9
SCHEMBL15182974 0.89 PPIA (0.82) PPIASLCO1B1PPIB

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 PPIA 403/4885SLCO1B1 438/4885PPIB 35/4885
US-20180105558-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 PPIA 435/4885SLCO1B1 448/4885PPIB 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.