SCHEMBL6076690

SCHEMBL6076690

COc1ccc(S(=O)(=O)N2CC=CCC(NS(=O)(=O)c3cccc4ccccc34)C2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
MMP9 P14780 9/20 0.40
MMP2 P08253 3/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP3 P08254 10/20 0.39
MMP1 P03956 9/20 0.39
MMP7 P09237 4/20 0.38
MMP13 P45452 3/20 0.38
KEAP1 Q14145 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
SCHEMBL7386712 0.96 HCRTR1 (0.44) HCRTR1HCRTR2CA12CA1CA2
SCHEMBL7386716 0.89 HCRTR1 (0.44) HCRTR1HCRTR2CA12CA1CA2
SCHEMBL6075812 0.87 CA12 (0.48) HCRTR1HCRTR2CA12CA1CA2
SCHEMBL6076042 0.87 CA12 (0.53) CA12CA1CA2CA9MMP9
SCHEMBL7389317 0.84 CA12 (0.50) CA12CA1CA2CA9MMP9
SCHEMBL6075691 0.82 MMP3 (0.49) CA12CA1CA2CA9MMP9
SCHEMBL6076087 0.82 CA12 (0.47) CA12CA1CA2CA9MMP9
SCHEMBL6075492 0.80 MMP1 (0.45) CA12CA1CA2CA9MMP9
SCHEMBL6076126 0.79 MMP3 (0.47) MMP9MMP2MMP3MMP1MMP7
SCHEMBL7389321 0.79 CA12 (0.47) CA12CA1CA2CA9MMP9

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-7022690-B2 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. (US) 2006-04-04 US disclosed
US-20050159407-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2005-07-21 US disclosed
US-6838454-B2 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. (US) 2005-01-04 US disclosed
US-20040029863-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2004-02-12 US disclosed
US-6593351-B2 3-Sulfonylamino-c5 to c8-methyleneimino-2-carboxylic acid compound is effective for prophylaxis and treatment of inflammation, tissue degradation, cancer, fibrosis and related diseases AMGEN INC. 2003-07-15 US disclosed
EP-1042297-B1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS AMGEN INC (US) 2003-02-26 EP disclosed
US-20020065269-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2002-05-30 US disclosed
US-6335329-B1 N-SULFONYL-3-AMINOAZEPINE-2-CARBOXYLIC ACID DERIVATIVES; ANTIINFLAMMATORY, ANTICARCINOGENIC, AND ANTIARTHRITIC AGENTS; METALLOPROTEINASE INHIBITORS AMGEN INC. 2002-01-01 US disclosed
US-6291450-B1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2001-09-18 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 (3 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-20040029863-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF HCRTR1 1854/4885HCRTR2 1931/4885CA12 452/4885
US-20020065269-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF HCRTR1 1854/4885HCRTR2 1931/4885CA12 452/4885
US-20050159407-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF HCRTR1 1854/4885HCRTR2 1931/4885CA12 452/4885

“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.