SCHEMBL16475261

SCHEMBL16475261

C/C=C/C[C@@H](C)[C@@H](O)C1C(=O)N[C@H](CC)C(=O)N(C)C(SCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(C)C)C(=O)N(C)C(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 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 20/20 0.71
PPIB P23284 7/20 0.69
CYP3A4 P08684 2/20 0.69
CYP2C9 P11712 2/20 0.69
PPIF P30405 2/20 0.69
CYP2C19 P33261 2/20 0.69
SLCO1B1 Q9Y6L6 3/20 0.62
ABCB11 O95342 2/20 0.62
ABCB1 P08183 2/20 0.62
ABCC2 Q92887 2/20 0.62
SLCO1B3 Q9NPD5 2/20 0.62
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
ABCC3 O15438 1/20 0.62
GMNN O75496 1/20 0.62
USP2 O75604 1/20 0.62
SLCO2B1 O94956 1/20 0.62
LMNA P02545 1/20 0.62
POLB P06746 1/20 0.62
MAPT P10636 1/20 0.62

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
SCHEMBL12994810 1.00 PPIA (0.71) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL12994807 0.86 PPIA (0.78) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL12994814 0.84 PPIA (0.84) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL22046690 0.83 PPIA (0.71) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL20664938 0.83 PPIA (0.71) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL12994815 0.83 PPIA (0.83) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15183862 0.83 PPIA (0.91) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL15383383 0.83 PPIA (0.91) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL11957336 0.83 PPIA (0.78) PPIAPPIBCYP3A4CYP2C9PPIF
SCHEMBL12994801 0.83 PPIA (0.90) 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-20140200185-A1 CYCLOSPORIN DERIVATIVES FOR TREATING OCULAR AND DERMAL DISEASES AND CONDITIONS ALLERGAN, INC. (US) 2014-07-17 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-20140200185-A1 CYCLOSPORIN DERIVATIVES FOR TREATING OCULAR AND DERMAL DISEASES AND CONDITIONS HRH4, HCAR3, AHR PPIA 2538/4885PPIB 2312/4885CYP3A4 756/4885

“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.