SCHEMBL7210707

SCHEMBL7210707

CCCCOc1ccc(S(=O)(=O)CC(O)(CSCc2cc(C)on2)C(=O)NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MMP1 P03956 7/20 0.42
BMP1 P13497 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MMP13 P45452 5/20 0.40
MMP9 P14780 4/20 0.40
ADAM17 P78536 1/20 0.40
SMPD1 P17405 1/20 0.39
MMP2 P08253 3/20 0.38
MMP14 P50281 2/20 0.38
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MMP3 P08254 4/20 0.37
MMP7 P09237 2/20 0.37
ACACB O00763 1/20 0.37

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
SCHEMBL7215336 0.83 HPGD (0.45) NPC1MMP1MMP13MMP9ADAM17
SCHEMBL7216935 0.81 MMP1 (0.47) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7215458 0.80 MMP1 (0.43) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7216647 0.79 MMP1 (0.54) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7210710 0.76 MMP1 (0.42) NPC1RXFP1MMP1BMP1KMT2A
SCHEMBL7216903 0.75 MMP1 (0.49) MMP1MMP13MMP9ADAM17MMP2
SCHEMBL7215344 0.74 MMP1 (0.44) MMP1KMT2AMEN1MMP13MMP9
SCHEMBL7212014 0.74 MMP1 (0.44) NPC1MMP1KMT2AMEN1MMP13
SCHEMBL7210439 0.74 MMP1 (0.46) MMP1MMP13MMP2MMP14ADAMTS4
SCHEMBL7212030 0.74 MMP13 (0.42) MMP1MMP13MMP9ADAM17MMP2

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 NPC1 2896/4885RXFP1 599/4885MMP1 1/4885

“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.