SCHEMBL7210467

SCHEMBL7210467

CC(CC(O)(CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1)C(=O)O)SCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 7/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KMT2A Q03164 2/20 0.37
ACLY P53396 2/20 0.37
PSMB5 P28074 2/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
SHMT2 P34897 2/20 0.34
KCNA3 P22001 1/20 0.34
PPARA Q07869 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7212023 0.84 ALDH1A1 (0.39) SHMT1KMT2AACLYPTGDR2PPARA
SCHEMBL7430760 0.77 PTGDR2 (0.38) SHMT1ACLYPTGDR2SHMT2
SCHEMBL7216938 0.77 PTGDR2 (0.38) SHMT1ACLYPTGDR2SHMT2
SCHEMBL7215592 0.77 ALDH1A1 (0.39) SHMT1KMT2APTGDR2PPARAMEN1
SCHEMBL7216850 0.74 ACLY (0.36) SHMT1ACLYPTGDR2SHMT2
SCHEMBL7215608 0.73 ALDH1A1 (0.37) SHMT1KMT2APTGDR2SHMT2MEN1
SCHEMBL7215461 0.72 ALDH1A1 (0.44) SHMT1KMT2APTGDR2SHMT2MEN1
SCHEMBL7210468 0.72 MMP2 (0.39) SHMT1ACLYPTGDR2SHMT2
SCHEMBL7211219 0.72 SHMT1 (0.37) SHMT1KMT2AACLYPTGDR2SHMT2
SCHEMBL7215586 0.70 MMP2 (0.38) SHMT1KMT2AACLYPTGDR2SHMT2

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 10 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-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 claimed
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 claimed
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 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 SHMT1 470/4885NPSR1 205/4885KMT2A 2691/4885

“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.