SCHEMBL4871552

SCHEMBL4871552

COc1ccc(S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC2COCOC2)OC2CCCCC2)cc1

nearest known ligand 0.73

Predicted protein targets (top 9)

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

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
SCHEMBL4871549 1.00 MLNR (0.55) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4873037 0.99 MLNR (0.55) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4873034 0.99 MLNR (0.55) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL7251481 0.99 MLNR (0.55) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL6617235 0.95 MLNR (0.51) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4874535 0.94 MLNR (0.60) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4874539 0.94 MLNR (0.60) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL4862496 0.93 MLNR (0.64) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL14065834 0.93 MLNR (0.64) MLNRABCB11LMNACTSDCYP3A4
SCHEMBL14074365 0.93 MLNR (0.64) MLNRABCB11LMNACTSDCYP3A4

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 7 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-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
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 MLNR 4045/4885ABCB11 1899/4885LMNA 3901/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MLNR 4045/4885ABCB11 1899/4885LMNA 3901/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP MLNR 4045/4885ABCB11 1899/4885LMNA 3901/4885

“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.