SCHEMBL3623902

SCHEMBL3623902

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
MMP2 P08253 8/20 0.48
MMP9 P14780 7/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MMP13 P45452 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MMP1 P03956 2/20 0.48
MMP3 P08254 2/20 0.48
MMP7 P09237 2/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ADAMTS4 O75173 3/20 0.46
MMP8 P22894 1/20 0.45
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL3625854 0.86 TDP1 (0.59) SLC1A3SLC1A2SLC1A1TDP1MMP2
SCHEMBL13405434 0.85 ALDH1A1 (0.46) SLC1A3SLC1A2SLC1A1TDP1MEN1
SCHEMBL8050147 0.85 ALDH1A1 (0.46) SLC1A3SLC1A2SLC1A1TDP1MEN1
SCHEMBL7400420 0.84 MMP2 (0.55) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL7400418 0.84 MMP2 (0.55) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL8072662 0.83 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL13570524 0.83 MMP2 (0.58) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL13570700 0.83 MMP2 (0.58) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL13570713 0.83 MMP2 (0.58) SLC1A3SLC1A2SLC1A1MMP2MMP9
SCHEMBL18554330 0.80 SLC1A3 (0.55) SLC1A3SLC1A2SLC1A1MMP2MMP9

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 SLC1A3 4146/4885SLC1A2 4486/4885SLC1A1 3919/4885

“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.