SCHEMBL7212130

SCHEMBL7212130

O=C(NO)C(O)(CSCc1ccccn1)CS(=O)(=O)c1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 4/20 0.38
SHMT2 P34897 2/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.37
MARS1 P56192 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD11B1 P28845 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
CCR2 P41597 1/20 0.34

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
SCHEMBL7215592 0.87 ALDH1A1 (0.39) SHMT1PTGDR2ALDH1A1KMT2A
SCHEMBL7210521 0.85 SHMT1 (0.35) SHMT1SHMT2MAPK1TSHRKMT2A
SCHEMBL7210908 0.81 MMP2 (0.38) SHMT1PTGDR2
SCHEMBL7215608 0.79 ALDH1A1 (0.37) SHMT1SHMT2POLBPTGDR2ALDH1A1
SCHEMBL7212023 0.77 ALDH1A1 (0.39) SHMT1PTGDR2ALDH1A1KMT2A
SCHEMBL7215461 0.76 ALDH1A1 (0.44) SHMT1SHMT2PTGDR2ALDH1A1SMN1; SMN2
SCHEMBL7211219 0.75 SHMT1 (0.37) SHMT1SHMT2MAPK1PTGDR2TSHR
SCHEMBL7216914 0.75 MMP13 (0.53)
SCHEMBL7212128 0.75 SHMT1 (0.36) SHMT1SHMT2PTGDR2
SCHEMBL7210804 0.72 MMP2 (0.38) SHMT1SHMT2PTGDR2

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-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

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 470/4885SHMT2 1906/4885POLB 1324/4885

“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.