SCHEMBL7212014

SCHEMBL7212014

CCCCOc1ccc(S(=O)(=O)CC(O)(CSc2nccn2C)C(=O)NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 12/20 0.44
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MMP13 P45452 10/20 0.41
MMP9 P14780 8/20 0.41
ADAM17 P78536 5/20 0.41
MMP2 P08253 2/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP14 P50281 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
MMP3 P08254 5/20 0.39
MMP7 P09237 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7215458 0.86 MMP1 (0.43) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7210803 0.85 TSHR (0.53) MMP1RAB9ASMN1; SMN2MMP13MMP9
SCHEMBL7212059 0.83 MMP1 (0.42) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7210439 0.81 MMP1 (0.46) MMP1SMN1; SMN2MMP13MMP2ADAMTS4
SCHEMBL7216647 0.81 MMP1 (0.54) MMP1SMN1; SMN2KDM4EMMP13MMP9
SCHEMBL7216903 0.81 MMP1 (0.49) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7215344 0.80 MMP1 (0.44) MMP1RAB9ASMN1; SMN2MMP13MMP9
SCHEMBL7210476 0.78 MMP1 (0.44) MMP1RAB9ASMN1; SMN2MMP13MMP9
SCHEMBL7215462 0.77 MMP1 (0.43) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7215336 0.76 HPGD (0.45) MMP1RAB9ASMN1; SMN2MMP13MMP9

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 MMP1 1/4885RAB9A 4505/4885SMN1; SMN2 3029/4885

“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.