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Sugi Predict / Compounds / SCHEMBL1602159

SCHEMBL1602159

SCHEMBL1602159

COc1ccc(S(=O)(=O)NC(CC(C)(C)CCC2(C)OCCO2)[C@H](O)[C@H](Cc2ccccc2)NC(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 4/20 0.42
▸ MMP9 P14780 2/20 0.42
▸ HTT P42858 1/20 0.40
▸ MMP1 P03956 4/20 0.39
▸ MMP13 P45452 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ BMP1 P13497 2/20 0.38
▸ MMP3 P08254 3/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ MMP7 P09237 1/20 0.36

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
SCHEMBL1601963 0.86 MMP2 (0.48) MMP2MMP9HTTMMP1MMP13
SCHEMBL6199527 0.86 MMP2 (0.48) MMP2MMP9HTTMMP1MMP13
SCHEMBL1602893 0.85 ALDH1A1 (0.37) MMP2MMP1MMP13ALDH1A1POLB
SCHEMBL1602106 0.85 ALDH1A1 (0.43) MMP2MMP9HTTMMP1MMP13
SCHEMBL5103876 0.84 MMP2 (0.42) MMP2MMP9HTTMMP1MMP13
SCHEMBL1602742 0.83 MMP2 (0.47) MMP2MMP9HTTMMP1MMP13
SCHEMBL1601507 0.82 MMP2 (0.47) MMP2MMP9HTTMMP1MMP13
SCHEMBL1602818 0.82 MMP2 (0.44) MMP2MMP9HTTMMP1MMP13
SCHEMBL1602483 0.82 MMP2 (0.44) MMP2MMP9HTTMMP1MMP13
SCHEMBL1602156 0.80 MLNR (0.43) —

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 8 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-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
EP-1637518-A2 Inhibitors of aspartyl protease Vertex Pharmaceuticals Incorporated (US) 2006-03-22 — — EP disclosed
US-20040127488-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2004-07-01 — — US disclosed
US-6617350-B2 Sulfonamides which are aspartyl protease inhibitors; well suited for inhibiting HIV-1 and HIV-2 protease activity VERTEX PHARMACEUTICALS INCORPORATED 2003-09-09 — — US disclosed
US-20020198388-A1 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED 2002-12-26 — — US disclosed
US-6319946-B1 BENZODIOXOLYLSULFONAMIDES; INHIBITING HIV-1 AND HIV-2 PROTEASE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED 2001-11-20 — — 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-20090042973-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MMP2 279/4885MMP9 479/4885HTT 1847/4885
US-20040127488-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MMP2 279/4885MMP9 479/4885HTT 1847/4885
US-20020198388-A1 Inhibitors of aspartyl protease SPINT2, DNPEP, PRSS1 MMP2 279/4885MMP9 479/4885HTT 1847/4885

“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.