SCHEMBL6301360

SCHEMBL6301360

FC(F)(F)c1ccc(-c2ccccn2)c(S)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.50
TGFBR1 P36897 2/20 0.44
GPR3 P46089 1/20 0.44
GRM5 P41594 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CCR1 P32246 1/20 0.42
CCR5 P51681 1/20 0.42
CCR8 P51685 1/20 0.42
METAP1 P53582 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL4730316 0.83 CBFB (0.50) CBFBTGFBR1GRM5LMNAKDM4E
SCHEMBL28209756 0.83 CBFB (0.50) CBFBTGFBR1GRM5LMNAKDM4E
SCHEMBL1206412 0.83 CBFB (0.50) CBFBTGFBR1GRM5LMNAKDM4E
SCHEMBL14116546 0.83 MPL (0.55) CBFBTGFBR1GRM5LMNAKDM4E
SCHEMBL11272726 0.82 ALOX5AP (0.50) CBFBTGFBR1GRM5LMNAKDM4E
SCHEMBL5331896 0.82 NPC1 (0.53) CBFBTGFBR1GRM5CCR1CCR5
SCHEMBL996983 0.82 CBFB (0.49) CBFBTGFBR1GRM5KDM4ETRPV1
SCHEMBL24363083 0.79 KDM4E (0.54) CBFBTGFBR1GRM5LMNAKDM4E
SCHEMBL4728125 0.79 CBFB (0.49) CBFBTGFBR1GRM5LMNAKDM4E
SCHEMBL5990281 0.79 KDM1A (0.50) CBFBTGFBR1GRM5LMNAKDM4E

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 9 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
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
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 CBFB 2918/4885TGFBR1 857/4885GPR3 4244/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 CBFB 2918/4885TGFBR1 857/4885GPR3 4244/4885
US-20040048852-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP1, MMP13 CBFB 3749/4885TGFBR1 183/4885GPR3 2609/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 CBFB 2918/4885TGFBR1 857/4885GPR3 4244/4885

“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.