SCHEMBL4164072

SCHEMBL4164072

O=C(O)CC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 12/20 0.73
ADAMTS5 Q9UNA0 1/20 0.73
MMP9 P14780 10/20 0.61
ADAMTS4 O75173 1/20 0.61
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.55
MMP1 P03956 1/20 0.55
MMP3 P08254 1/20 0.55
MMP7 P09237 1/20 0.55
MMP13 P45452 1/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
CTSL P07711 1/20 0.49
CTSS P25774 1/20 0.49
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49

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
SCHEMBL3013315 0.88 MMP2 (0.92) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL3009401 0.88 MMP2 (0.92) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL3009406 0.88 MMP2 (0.92) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL3890915 0.86 MMP2 (0.76) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL3890918 0.86 MMP2 (0.76) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL3887007 0.86 MMP2 (0.68) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL5121167 0.85 MMP2 (0.74) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL5117214 0.85 MMP2 (0.74) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL13890444 0.85 MMP2 (0.74) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1
SCHEMBL4173843 0.85 MMP2 (0.63) MMP2ADAMTS5MMP9ADAMTS4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2009-04-30 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-20090111860-A1 SULFONAMIDE COMPOUNDS USEFUL AS ADG RECEPTOR MODULATORS ADGRE5, ADGRF1, SELPLG MMP2 3625/4885ADAMTS5 891/4885MMP9 3153/4885

“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.