SCHEMBL12709784

SCHEMBL12709784

CC(C)(CCC1(C)OCCO1)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)OCCO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPPL2A Q8TCT8 1/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.42
MLNR O43193 1/20 0.42
ABCB11 O95342 1/20 0.42
CTSD P07339 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
CNR1 P21554 1/20 0.42
TBXAS1 P24557 1/20 0.42
ADRA1A P35348 1/20 0.42
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
KLK5 Q9Y337 1/20 0.41

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
SCHEMBL12709726 0.97 SPPL2A (0.42) SPPL2AALDH1A1LMNAMLNRABCB11
SCHEMBL1601272 0.92 ALDH1A1 (0.44) SPPL2AALDH1A1LMNAMLNRABCB11
SCHEMBL12709800 0.90 MLNR (0.44) SPPL2ALMNAMLNRABCB11CTSD
SCHEMBL12709591 0.89 MLNR (0.45) LMNAMLNRABCB11CTSDCYP3A4
SCHEMBL12709796 0.89 SPPL2A (0.42) SPPL2ALMNAMLNRABCB11CTSD
SCHEMBL12734629 0.88 SPPL2A (0.41) SPPL2ALMNAMLNRABCB11CTSD
SCHEMBL12709653 0.88 SPPL2A (0.41) SPPL2ALMNAMLNRABCB11CTSD
SCHEMBL1601586 0.87 SPPL2A (0.44) SPPL2AALDH1A1LMNAMLNRABCB11
SCHEMBL1601585 0.87 SPPL2A (0.44) SPPL2AALDH1A1LMNAMLNRABCB11
SCHEMBL12709651 0.85 KLK5 (0.40) SPPL2ALMNAMLNRABCB11CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919523-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042973-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 US disclosed
US-7442718-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-10-28 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 SPPL2A 93/4885ALDH1A1 1604/4885LMNA 4130/4885

“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.