SCHEMBL4349870

SCHEMBL4349870

CC(C)CN(C[C@@H](O)[C@H](Cc1ccc(OCc2ccccn2)cc1)NC(=O)O)S(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.56
SPPL2A Q8TCT8 1/20 0.49
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
SCHEMBL4349865 1.00 ABCB1 (0.56) ABCB1SPPL2AMLNRABCB11LMNA
SCHEMBL4347234 0.91 SPPL2A (0.57) ABCB1SPPL2AMLNRABCB11LMNA
SCHEMBL4347230 0.91 SPPL2A (0.57) ABCB1SPPL2AMLNRABCB11LMNA
SCHEMBL4345123 0.88 ABCB1 (0.58) ABCB1SPPL2A
SCHEMBL4345120 0.88 ABCB1 (0.58) ABCB1SPPL2A
SCHEMBL4349846 0.87 MLNR (0.54) ABCB1SPPL2AMLNRABCB11LMNA
SCHEMBL4349850 0.87 MLNR (0.54) ABCB1SPPL2AMLNRABCB11LMNA
SCHEMBL6061161 0.86 ABCB1 (0.51) ABCB1SPPL2ACTSD
SCHEMBL6061158 0.86 ABCB1 (0.51) ABCB1SPPL2ACTSD
SCHEMBL13617900 0.85 ABCB1 (0.77) ABCB1MLNRABCB11LMNACTSD

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 5 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-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
EP-1194404-B1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2006-05-03 EP disclosed
US-6878728-B1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICAL INCORPORATED (US) 2005-04-12 US disclosed
US-20040122000-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED. 2004-06-24 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-20040122000-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 ABCB1 628/4885SPPL2A 93/4885MLNR 4166/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 ABCB1 628/4885SPPL2A 93/4885MLNR 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.