SCHEMBL977535

SCHEMBL977535

O=C(NO)c1ccccc1S(=O)(=O)NCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.75
CA9 Q16790 3/20 0.75
HDAC2 Q92769 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
MMP2 P08253 4/20 0.54
MMP13 P45452 4/20 0.54
MCL1 Q07820 1/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KEAP1 Q14145 1/20 0.51
MMP1 P03956 2/20 0.51
MMP9 P14780 2/20 0.51
MMP8 P22894 2/20 0.51
MMP3 P08254 1/20 0.51
MMP12 P39900 1/20 0.51
MMP14 P50281 1/20 0.51
MMP16 P51512 1/20 0.51
NSD2 O96028 2/20 0.50

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
SCHEMBL7072113 0.85 MMP2 (0.63) CA12CA9MMP2MMP13KMT2A
SCHEMBL5167135 0.83 CA12 (0.77) CA12CA9MCL1ALDH1A1KEAP1
SCHEMBL975460 0.81 CA9 (0.73) CA12CA9MCL1KMT2AMEN1
SCHEMBL28742864 0.79 CA12 (0.70) CA12CA9MCL1ALDH1A1KEAP1
SCHEMBL28885334 0.76 KMT2A (0.68) CA12CA9KMT2AALDH1A1KEAP1
SCHEMBL7129638 0.75 KMT2A (0.55) CA12CA9HDAC2HDAC8HDAC6
SCHEMBL2741011 0.74 KMT2A (0.56) CA12CA9MMP2MMP13KMT2A
SCHEMBL7072077 0.73 CA12 (0.74) CA12CA9ALDH1A1NSD2
SCHEMBL22073588 0.73 CYP3A4 (0.67) CA12CA9KMT2AMEN1ALDH1A1
SCHEMBL13763413 0.72 NSD2 (0.74) CA12CA9ALDH1A1KEAP1NSD2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-8673911-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2014-03-18 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2014-02-13 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
US-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 US disclosed
CN-101918389-A Histone deacetylase inhibitors METHYLGENE INC 2010-12-15 CN disclosed
US-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors PHARMACIA CORPORATION 2003-04-17 US disclosed
WO-2003007930-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
US-20020103239-A1 Sulfonyl divalent aryl or heteroaryl hydroxamic acid compounds BEDELL LOUIS J (US) 2002-08-01 US disclosed
US-6380258-B2 METALLOPROTEASE INHIBITOR G. D. SEARLE, L.L.C. 2002-04-30 US disclosed
EP-1177173-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2002-02-06 EP disclosed
WO-2001085680-A2 SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS PHARMACIA CORPORATION (US) 2001-11-15 WO disclosed
US-20010020021-A1 SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. 2001-09-06 US disclosed
WO-2000069819-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-11-23 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 (5 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CA12 1467/4885CA9 436/4885HDAC2 4/4885
US-20010020021-A1 SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS MMP2, MMP1, MMP3 CA12 286/4885CA9 197/4885HDAC2 74/4885
US-20140045850-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 CA12 1467/4885CA9 436/4885HDAC2 4/4885
US-20020103239-A1 Sulfonyl divalent aryl or heteroaryl hydroxamic acid compounds MMP2, MMP1, MMP3 CA12 286/4885CA9 197/4885HDAC2 74/4885
US-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors ARSA, MMP1, MMP3 CA12 316/4885CA9 77/4885HDAC2 228/4885

“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.