SCHEMBL4331283

SCHEMBL4331283

CC(C)[C@H](NS(=O)(=O)CCCc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 5/20 0.49
MMP13 P45452 3/20 0.49
MMP2 P08253 3/20 0.49
MMP9 P14780 3/20 0.49
MMP3 P08254 2/20 0.49
MMP1 P03956 1/20 0.49
MMP7 P09237 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
HPGD P15428 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 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
SCHEMBL4331282 1.00 ADAMTS4 (0.49) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL6626990 0.82 SLC1A3 (0.70) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL4330661 0.82 SLC1A3 (0.70) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL4330656 0.82 SLC1A3 (0.70) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL12890231 0.82 KMT2A (0.50) HPGDCYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL7335191 0.79 MMP13 (0.52) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL7335195 0.79 MMP13 (0.52) ADAMTS4MMP13MMP2MMP9MMP3
SCHEMBL4619221 0.76 MMP8 (0.51) ADAMTS4MMP13MMP1MMP7SLC1A3
SCHEMBL7277829 0.76 CYP2D6 (0.58) CYP2D6CYP2C9CYP2C19KMT2A
SCHEMBL4621599 0.76 MMP8 (0.51) ADAMTS4MMP13MMP1MMP7SLC1A3

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 2 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
US-20070219382-A1 Process For Making N-Sulfonated-Amino Acid Derivatives MERCK SHARP & DOHME CORP. 2007-09-20 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 (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 ADAMTS4 3266/4885MMP13 3779/4885MMP2 2586/4885

“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.