SCHEMBL3964633

SCHEMBL3964633

Cc1ccccc1S(=O)(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.74
SLC1A2 P43004 1/20 0.74
SLC1A1 P43005 1/20 0.74
MMP9 P14780 9/20 0.60
MMP2 P08253 8/20 0.60
MMP3 P08254 7/20 0.60
MMP13 P45452 7/20 0.60
MMP1 P03956 6/20 0.60
MMP7 P09237 6/20 0.60
ADAMTS4 O75173 4/20 0.60
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
ITGAV P06756 1/20 0.54
MMP14 P50281 1/20 0.50

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
SCHEMBL4588941 1.00 SLC1A3 (0.74) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL6626993 0.87 KDM4E (0.57) SLC1A3SLC1A2SLC1A1MMP9MMP2
Phenanthroline SCHEMBL27895995 0.85 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL8171825 0.84 MMP2 (0.60) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL14798294 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL27895996 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL10765699 0.84 SLC1A3 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL14398393 0.81 MMP2 (0.56) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL7293770 0.81 ALDH1A1 (0.64) SLC1A3SLC1A2SLC1A1MMP9MMP2
SCHEMBL3973093 0.80 MMP2 (0.82) SLC1A3SLC1A2SLC1A1MMP9MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579487-B2 Process for making N-sulfonated-amino acid derivatives MERCK & CO., INC. (US) 2009-08-25 US disclosed
EP-1747212-A4 PROCESS FOR MAKING N-SULFONATED-AMINO ACID DERIVATIVES MERCK & CO INC (US) 2009-03-25 EP disclosed
US-20070219382-A1 Process For Making N-Sulfonated-Amino Acid Derivatives MERCK SHARP & DOHME CORP. 2007-09-20 US disclosed
EP-1747212-A2 PROCESS FOR MAKING N-SULFONATED-AMINO ACID DERIVATIVES Merck and Co., Inc. (US) 2007-01-31 EP disclosed
WO-2005118529-A2 PROCESS FOR MAKING N-SULFONATED-AMINO ACID DERIVATIVES MERCK & CO., INC. (US) 2005-12-15 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-20070219382-A1 Process For Making N-Sulfonated-Amino Acid Derivatives ANTXR2, STS, ASNS SLC1A3 271/4885SLC1A2 272/4885SLC1A1 517/4885

“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.