SCHEMBL13617917

SCHEMBL13617917

CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.55
ABCB1 P08183 1/20 0.46
MLNR O43193 1/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
CTSD P07339 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
CNR1 P21554 1/20 0.46
TBXAS1 P24557 1/20 0.46
ADRA1A P35348 1/20 0.46

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
SCHEMBL4351951 0.92 SPPL2A (0.55) SPPL2AABCB1
SCHEMBL4351953 0.92 SPPL2A (0.55) SPPL2AABCB1
SCHEMBL13617979 0.90 SPPL2A (0.57) SPPL2AABCB1MLNRABCB11LMNA
SCHEMBL13617810 0.89 SPPL2A (0.56) SPPL2AABCB1
SCHEMBL12757911 0.85 SPPL2A (0.58) SPPL2A
SCHEMBL14602751 0.85 SPPL2A (0.58) SPPL2A
SCHEMBL12757909 0.85 SPPL2A (0.58) SPPL2A
SCHEMBL14602750 0.85 SPPL2A (0.58) SPPL2A
SCHEMBL4349493 0.84 SPPL2A (0.55) SPPL2A
SCHEMBL4353886 0.84 SPPL2A (0.47) SPPL2AABCB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 SPPL2A 93/4885ABCB1 628/4885MLNR 4166/4885

“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.