SCHEMBL3619933

SCHEMBL3619933

O=C(NCCCC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 9/20 0.80
MMP9 P14780 8/20 0.80
MMP1 P03956 3/20 0.73
MMP3 P08254 2/20 0.73
MMP7 P09237 2/20 0.73
MMP13 P45452 2/20 0.73
TGM2 P21980 1/20 0.58
FOLH1 Q04609 2/20 0.55
ADAM10 O14672 3/20 0.54
ADAM17 P78536 3/20 0.54
MMP14 P50281 2/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP9 Q86TI2 1/20 0.52

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
SCHEMBL5655210 0.97 MMP2 (0.75) MMP2MMP9MMP1MMP3MMP7
SCHEMBL8057120 0.93 MMP2 (0.68) MMP2MMP9MMP1MMP3MMP7
SCHEMBL13405072 0.93 MMP2 (0.68) MMP2MMP9MMP1MMP3MMP7
SCHEMBL6122901 0.90 MMP2 (0.90) MMP2MMP9MMP1MMP3MMP7
SCHEMBL3625155 0.88 MMP2 (0.62) MMP2MMP9MMP1MMP3MMP7
SCHEMBL7436958 0.87 MMP2 (0.85) MMP2MMP9MMP1MMP3MMP7
SCHEMBL10365919 0.87 MMP2 (0.85) MMP2MMP9MMP1MMP3MMP7
SCHEMBL4089183 0.85 MMP2 (0.58) MMP2MMP9MMP1MMP3MMP7
SCHEMBL31685703 0.82 MMP2 (0.54) MMP2MMP9MMP1MMP3MMP7
SCHEMBL15238617 0.82 MMP2 (0.76) MMP2MMP9MMP1MMP3MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203420-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2010-07-07 EP disclosed
US-20100093811-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. 2010-04-15 US disclosed
WO-2009042094-A2 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2009042093-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO 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-20100093811-A1 HIV PROTEASE INHIBITORS PRSS1, FURIN, SERPINB1 MMP2 72/4885MMP9 58/4885MMP1 187/4885

“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.