SCHEMBL5771630

SCHEMBL5771630

CC(C)(CCCCO)CN(C[C@@H](O)[C@H](Cc1cccc(C(C)(C)C)c1)NC(=O)O)S(=O)(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.39
ALDH1A1 P00352 3/20 0.37
SPPL2A Q8TCT8 1/20 0.36
ABCB1 P08183 1/20 0.36
BACE1 P56817 3/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
BCHE P06276 1/20 0.35
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MLNR O43193 1/20 0.34
ABCB11 O95342 1/20 0.34
CTSD P07339 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP3A5 P20815 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL1601742 0.93 SPPL2A (0.42) MEP1BALDH1A1SPPL2AABCB1TAS2R14
SCHEMBL1601744 0.93 SPPL2A (0.42) MEP1BALDH1A1SPPL2AABCB1TAS2R14
SCHEMBL7563595 0.92 MEP1B (0.37) MEP1BALDH1A1SPPL2AABCB1BACE1
SCHEMBL1602374 0.85 SPPL2A (0.44) ALDH1A1SPPL2ALMNAMLNRABCB11
SCHEMBL1602373 0.85 SPPL2A (0.44) ALDH1A1SPPL2ALMNAMLNRABCB11
SCHEMBL1600674 0.82 ABCB1 (0.41) MEP1BALDH1A1SPPL2AABCB1LMNA
SCHEMBL1600677 0.82 ABCB1 (0.41) MEP1BALDH1A1SPPL2AABCB1LMNA
SCHEMBL6763344 0.82 BACE1 (0.39) BACE1BCHECTSDCYP3A4
SCHEMBL4165957 0.82 SPPL2A (0.41) MEP1BALDH1A1SPPL2AABCB1TAS2R14
SCHEMBL4168047 0.82 ALDH1A1 (0.46) ALDH1A1SPPL2AABCB1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1637518-A2 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-03-22 EP disclosed
US-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 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-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MEP1B 2332/4885ALDH1A1 1604/4885SPPL2A 93/4885

“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.