SCHEMBL6301359

SCHEMBL6301359

FC(F)(F)c1ccc(-c2ccccc2S)nc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.41
KIF11 P52732 1/20 0.40
KMT2A Q03164 2/20 0.40
GPR3 P46089 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAOB P27338 1/20 0.38
HPGD P15428 1/20 0.38
TRPV3 Q8NET8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HIF1A Q16665 1/20 0.37
KDM1A O60341 2/20 0.37
CASP3 P42574 1/20 0.36
IDO1 P14902 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL1416833 0.82 NPC1 (0.50) NPSR1KDM4ENPC1RAB9ATRPV3
SCHEMBL31114090 0.81 CASP3 (0.44) NPSR1KDM4EKIF11KMT2ANPC1
SCHEMBL28510482 0.81 CYP11B1 (0.43) NPSR1KDM4EKIF11KMT2AMAOB
SCHEMBL31114170 0.81 CYP11B1 (0.43) NPSR1KDM4EKIF11KMT2AMAOB
SCHEMBL16915425 0.81 HSD17B10 (0.48) NPSR1KDM4EKIF11KMT2ANPC1
SCHEMBL11272729 0.79 KMT2A (0.51) NPSR1KDM4EKIF11KMT2AHPGD
SCHEMBL13247920 0.78 MAPT (0.47) NPSR1KDM4EKIF11KMT2ANPC1
SCHEMBL29595709 0.78 NPSR1 (0.53) NPSR1KDM4EKIF11KMT2ANPC1
SCHEMBL811160 0.78 NPSR1 (0.53) NPSR1KDM4EKIF11KMT2ANPC1
SCHEMBL31676875 0.76 RAB9A (0.46) NPSR1KDM4EKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6890937-B2 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION (US) 2005-05-10 US disclosed
US-6750233-B2 SELECTIVITY PHARMACIA CORPORATION 2004-06-15 US disclosed
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-03-11 US disclosed
US-6541489-B1 Excellent inhibitory activity of one or more matrix metalloprotease (MMP) enzymes, such as MMP-2, MMP-9, and MMP-13, while exhibiting substantially less inhibition at least of MMP- 1 G. D. SEARLE & COMPANY 2003-04-01 US disclosed
US-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2002-11-28 US disclosed
CN-1370144-A Aromatic sulfone hydroxamic acid metalloprotease inhibitor SEARLE & CO (US) 2002-09-18 CN disclosed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US disclosed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US disclosed
CN-1279669-A Aromatic sulfone hydroxamic acid metalloprotease inhibitors SEARLE & CO (US) 2001-01-10 CN disclosed
EP-1042290-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-10-11 EP disclosed
WO-1999025687-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 1999-05-27 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 (4 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-20020177588-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP10 NPSR1 2790/4885KDM4E 461/4885KIF11 1715/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 NPSR1 2790/4885KDM4E 461/4885KIF11 1715/4885
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP1, MMP13 NPSR1 1306/4885KDM4E 768/4885KIF11 2599/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 NPSR1 2790/4885KDM4E 461/4885KIF11 1715/4885

“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.