SCHEMBL7210904

SCHEMBL7210904

CCCCN1CC(=O)N(CC(O)(CS(=O)(=O)c2cc(Cl)ccc2-c2ccccc2)C(=O)O)C1=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.35
MMP9 P14780 1/20 0.35
SHMT1 P34896 5/20 0.34
ACLY P53396 3/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
PDE5A O76074 4/20 0.32
SHMT2 P34897 2/20 0.32
DPP4 P27487 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
AGTR1 P30556 2/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL7216662 0.93 HDAC6 (0.35) MMP2MMP9SHMT1HDAC6AGTR1
SCHEMBL7215586 0.88 MMP2 (0.38) MMP2MMP9SHMT1ACLYPTGDR2
SCHEMBL7210429 0.80 HDAC6 (0.37) MMP2MMP9SHMT1PTGDR2SHMT2
SCHEMBL7210468 0.79 MMP2 (0.39) MMP2MMP9SHMT1ACLYPTGDR2
SCHEMBL7215310 0.77 MMP13 (0.41) MMP2MMP9
SCHEMBL7216850 0.75 ACLY (0.36) MMP2MMP9SHMT1ACLYPTGDR2
SCHEMBL7618746 0.75 HDAC6 (0.35) MMP2MMP9SHMT1PTGDR2HDAC6
SCHEMBL7210645 0.74 MMP7 (0.44) MMP2MMP9
SCHEMBL7210804 0.72 MMP2 (0.38) MMP2MMP9SHMT1PTGDR2SHMT2
SCHEMBL7215507 0.70 PTGDR2 (0.34) SHMT1ACLYPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US claimed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP claimed
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 EP disclosed
US-6437177-B1 DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION; ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, DERMAL, OR GASTRIC ULCERATION, AND ASTHMA; 2-HYDROXY-2-(PHENYLTHIO) METHYL-3-(4-BUTOXYBENZENESULFONYL)PROPIONIC ACID PHARMACIA & UPJOHN COMPANY 2002-08-20 US disclosed
EP-1037868-A2 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-09-27 EP disclosed
WO-1999026909-A2 ALPHA-HYDROXY, -AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-06-03 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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 MMP2 8/4885MMP9 20/4885SHMT1 470/4885

“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.