SCHEMBL3625854

SCHEMBL3625854

C=CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MMP2 P08253 10/20 0.54
MMP13 P45452 5/20 0.54
MMP3 P08254 3/20 0.54
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
MMP9 P14780 10/20 0.51
MMP1 P03956 3/20 0.51
MMP7 P09237 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ADAMTS4 O75173 2/20 0.48
MMP8 P22894 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL7400420 0.87 MMP2 (0.55) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL7400418 0.87 MMP2 (0.55) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL8062219 0.86 NPSR1 (0.49) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL3623902 0.86 SLC1A3 (0.54) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL8072662 0.86 SLC1A3 (0.54) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL13570700 0.85 MMP2 (0.58) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL13570524 0.85 MMP2 (0.58) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL13570713 0.85 MMP2 (0.58) MMP2MMP13MMP3SLC1A3SLC1A2
SCHEMBL10976479 0.82 TDP1 (0.61) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL10976480 0.82 TDP1 (0.61) TDP1MMP2MMP13MMP3SLC1A3

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-2009042093-A1 HIV PROTEASE INHIBITORS MERCK & CO., INC. (US) 2009-04-02 WO disclosed
WO-2009042094-A2 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 TDP1 674/4885MMP2 72/4885MMP13 507/4885

“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.