Sugi Predict

Sugi Predict / Compounds / SCHEMBL4864734

SCHEMBL4864734

SCHEMBL4864734

CCC(C)Oc1cc(S(=O)(=O)N(Cc2ccccc2)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O)ccc1OC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4872240 0.88 HPGD (0.42) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL4869453 0.85 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL4869968 0.85 PDE4B (0.49) PDE4APDE4BPDE4CPDE4D
SCHEMBL4865885 0.84 MLNR (0.38) TAS2R14HTTALDH1A1
SCHEMBL4873714 0.83 CACNA1B (0.42) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL4867893 0.83 MLNR (0.46) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL6199940 0.81 PSEN1 (0.38) KMT2AHTTMMP1MMP2MMP9
SCHEMBL4866060 0.80 ABCB1 (0.49) SMN1; SMN2HTTALDH1A1
SCHEMBL4872834 0.79 PDE4B (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL4872990 0.78 ABCB1 (0.43) TAS2R14HTTMMP2MMP9MMP8

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-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
EP-1086076-B1 SULFONAMIDE INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMA (US) 2004-12-22 — — EP 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 PDE4A 3567/4885PDE4B 3968/4885PDE4C 3857/4885
US-20060172936-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP PDE4A 3567/4885PDE4B 3968/4885PDE4C 3857/4885
US-20020049201-A1 Sulfonamide inhibitors of aspartyl protease SPINT2, PRSS1, DNPEP PDE4A 3567/4885PDE4B 3968/4885PDE4C 3857/4885

“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.