SCHEMBL4866060

SCHEMBL4866060

CCC(C)Oc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)O[C@H]2CO[C@H]3OCC[C@H]32)[C@@H](C)O)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.49
KCNE1 P15382 1/20 0.49
KCNQ1 P51787 1/20 0.49
KCNH2 Q12809 1/20 0.49
SCN5A Q14524 1/20 0.49
KCND3 Q9UK17 1/20 0.49
USP2 O75604 1/20 0.35
GAA P10253 1/20 0.35
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL4871403 0.90 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4869186 0.90 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4875602 0.90 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL7255783 0.89 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4875226 0.89 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4869207 0.87 ABCB1 (0.46) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4867893 0.86 MLNR (0.46) LMNAALDH1A1HTT
SCHEMBL6616624 0.85 ABCB1 (0.46) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4873973 0.85 ABCB1 (0.49) ABCB1KCNE1KCNQ1KCNH2SCN5A
SCHEMBL4865885 0.84 MLNR (0.38) HIF1AEPAS1LMNAALDH1A1HTT

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-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2006-08-03 US disclosed
US-20040097594-A1 Sulfonamide inhibitors of aspartyl protease HALE MICHAEL ROBIN (US) 2004-05-20 US disclosed
US-6613743-B2 Administering to a patient suffering from viral infections a sulfonamides antiviral agents which are aspartyl protease inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2003-09-02 US disclosed
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-04-25 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 (3 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-20040097594-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ABCB1 754/4885KCNE1 3409/4885KCNQ1 3286/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ABCB1 754/4885KCNE1 3409/4885KCNQ1 3286/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP ABCB1 754/4885KCNE1 3409/4885KCNQ1 3286/4885

“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.