SCHEMBL5898971

SCHEMBL5898971

C[C@H](NC(=O)C(N)C(N)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.46
GRM4 Q14833 1/20 0.46
MAPT P10636 4/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
TDP1 Q9NUW8 4/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 3/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
GPR35 Q9HC97 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
SCHEMBL4030499 0.83 GRM8 (0.54) GRM8GRM4MAPTMEN1KMT2A
SCHEMBL3497625 0.78 TDP1 (0.49) GRM8GRM4MAPTLMNAKMT2A
SCHEMBL26934198 0.77 ALDH1A1 (0.58) MAPTALDH1A1CRHBPCRHR2TDP1
SCHEMBL26934190 0.77 ALDH1A1 (0.58) MAPTALDH1A1CRHBPCRHR2TDP1
SCHEMBL21981237 0.76 ALDH1A1 (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL10662852 0.76 GRM8 (0.52) GRM8GRM4MAPTLMNAMEN1
SCHEMBL7213380 0.76 GRM8 (0.42) GRM8GRM4MAPTLMNAKMT2A
SCHEMBL2130850 0.75 ALDH1A1 (0.50) GRM8GRM4MAPTLMNAMEN1
SCHEMBL29478417 0.75 GRM8 (0.56) GRM8GRM4MAPTMEN1KMT2A
SCHEMBL3584980 0.75 ALDH1A1 (0.50) GRM8GRM4MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115632-B1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds G. D. SEARLE & CO. (US) 2006-10-03 US disclosed
US-7067670-B2 Sulfamato hydroxamic acid metalloprotease inhibitor WARNER LAMBERT COMPANY (US) 2006-06-27 US disclosed
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor BARTA THOMAS E 2006-04-20 US disclosed
US-6890937-B2 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION (US) 2005-05-10 US disclosed
US-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds PHARMACIA CORPORATION 2005-04-07 US disclosed
US-20050049280-A1 Sulfamato hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2005-03-03 US disclosed
EP-0983267-B1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2005-01-26 EP disclosed
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
EP-0977745-B1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2004-12-01 EP disclosed
US-20040235818-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor PHARMACIA CORPORATION 2004-11-25 US disclosed
WO-2002062756-A1 AROMATIC SULFONYL ALPHA-CYCLOAMINO HYDROXAMATES AND THEIR USE AS MMP INHIBITORS PHARMACIA CORPORATION (US) 2002-08-15 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
US-6362183-B1 PROTEASE INHIBITORS; RHEUMATIC DISEASES; ANTITUMOR AGENTS G. D. SEARLE & COMPANY 2002-03-26 US disclosed
US-20010049449-A1 Aromatic sulfonyl alpha-cycloamino hydroxamates and their use as MMP inhibitors PHARMACIA CORPORATION 2001-12-06 US disclosed
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR PHARMACIA CORPORATION 2001-11-08 US disclosed
US-20010020021-A1 SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS G.D. SEARLE & CO. 2001-09-06 US disclosed
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR BARTA THOMAS E (US) 2001-08-16 US disclosed
US-6087359-A A MATRIX METALLOPROTEASE ENZYME INHIBITOR PHARMACIA CORPORATION 2000-07-11 US disclosed
US-6013649-A BOND DISORDERS; AUTOIMMUNE DISEASES; ANTITUMOR AGENTS MONSANTO COMPANY (US) 2000-01-11 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 (10 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-20010020021-A1 SULFONYL DIVALENT ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS MMP2, MMP1, MMP3 GRM8 3870/4885GRM4 3294/4885MAPT 4679/4885
US-20010049449-A1 Aromatic sulfonyl alpha-cycloamino hydroxamates and their use as MMP inhibitors MMP1, MMP3, MMP2 GRM8 3898/4885GRM4 3528/4885MAPT 3787/4885
US-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds MMP1, MMP2, MMP3 GRM8 4380/4885GRM4 3994/4885MAPT 4693/4885
US-20020103239-A1 Sulfonyl divalent aryl or heteroaryl hydroxamic acid compounds MMP2, MMP1, MMP3 GRM8 3870/4885GRM4 3294/4885MAPT 4679/4885
US-20040235818-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP9, MMP13, MMP2 GRM8 4761/4885GRM4 4722/4885MAPT 2855/4885
US-20060084688-A1 Aromatic sulfone hydroxamic acid metalloprotease inhibitor MMP13, MMP9, MMP3 GRM8 4551/4885GRM4 4618/4885MAPT 3840/4885
US-20010039287-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 GRM8 4561/4885GRM4 4592/4885MAPT 2312/4885
US-20050049280-A1 Sulfamato hydroxamic acid metalloprotease inhibitor MMP14, MMP12, MMP17 GRM8 2840/4885GRM4 2611/4885MAPT 3934/4885
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 GRM8 3725/4885GRM4 4368/4885MAPT 1644/4885
US-20010014688-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR MMP13, MMP9, MMP10 GRM8 4561/4885GRM4 4592/4885MAPT 2312/4885

“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.