SCHEMBL11957336

SCHEMBL11957336

C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)N[C@@H](CC)C(=O)N(C)C(SCCOCC(C)=O)C(=O)N(C)[C@@H](CC(C)C)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(C(C)C)C(=O)N1C

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.78
PPIB P23284 8/20 0.73
CYP3A4 P08684 1/20 0.73
CYP2C9 P11712 1/20 0.73
PPIF P30405 1/20 0.73
CYP2C19 P33261 1/20 0.73
SLCO1B1 Q9Y6L6 2/20 0.71
ABCB11 O95342 1/20 0.70
ABCB1 P08183 1/20 0.70
ABCC2 Q92887 1/20 0.70
SLCO1B3 Q9NPD5 1/20 0.70

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
SCHEMBL15183892 0.90 PPIA (0.78) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL12994808 0.90 PPIA (0.84) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL12994814 0.90 PPIA (0.84) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15383383 0.89 PPIA (0.91) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183862 0.89 PPIA (0.91) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL12994801 0.88 PPIA (0.90) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15383384 0.88 PPIA (0.90) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL11957327 0.88 PPIA (0.82) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15383382 0.88 PPIA (0.90) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183894 0.87 PPIA (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120196749-A1 Cyclosporin Derivatives MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2012-08-02 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-20120196749-A1 Cyclosporin Derivatives TSLP, FKBP14, CHP1 PPIA 59/4885PPIB 67/4885CYP3A4 498/4885

“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.