SCHEMBL6075541

SCHEMBL6075541

COc1ccc(S(=O)(=O)N2CC=CCC(NC(=O)OCc3cc(Cl)cc(Cl)c3)C2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 4/20 0.47
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
MMP3 P08254 8/20 0.41
MMP1 P03956 6/20 0.41
MMP8 P22894 5/20 0.41
MMP9 P14780 5/20 0.41
MMP7 P09237 4/20 0.41
MMP2 P08253 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
MMP13 P45452 4/20 0.40
ENPP2 Q13822 1/20 0.38
ATXN2 Q99700 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
SCHEMBL6076418 0.92 SMN1; SMN2 (0.52) HCRTR1HCRTR2PKMSMN1; SMN2HTT
SCHEMBL6075529 0.90 PKM (0.52) PKMSMN1; SMN2HTTMMP3MMP1
SCHEMBL7028577 0.88 HCRTR1 (0.46) HCRTR1HCRTR2PKMSMN1; SMN2HTT
SCHEMBL6076126 0.85 MMP3 (0.47) MMP3MMP1MMP8MMP9MMP7
SCHEMBL6075748 0.85 PKM (0.49) HCRTR1HCRTR2PKMSMN1; SMN2HTT
SCHEMBL7422439 0.82 MMP1 (0.57) PKMSMN1; SMN2HTTMMP3MMP1
SCHEMBL7031074 0.81 SMN1; SMN2 (0.50) HCRTR1HCRTR2PKMSMN1; SMN2HTT
SCHEMBL6075406 0.81 MMP3 (0.46) MMP3MMP1MMP8MMP9MMP7
SCHEMBL6075725 0.80 PKM (0.52) PKMSMN1; SMN2HTTMMP3MMP1
SCHEMBL6075466 0.80 PKM (0.47) PKMSMN1; SMN2HTTMMP3MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029863-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2004-02-12 US claimed
EP-1042297-B1 CARBOXYL ACID SUBSTITUTED HETEROCYCLES AS METALLOPROTEINASE INHIBITORS AMGEN INC (US) 2003-02-26 EP claimed
US-20020065269-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use AMGEN INC. 2002-05-30 US claimed
US-6335329-B1 N-SULFONYL-3-AMINOAZEPINE-2-CARBOXYLIC ACID DERIVATIVES; ANTIINFLAMMATORY, ANTICARCINOGENIC, AND ANTIARTHRITIC AGENTS; METALLOPROTEINASE INHIBITORS AMGEN INC. 2002-01-01 US claimed
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 1931/4885PKM 701/4885
US-20020065269-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF HCRTR1 1854/4885HCRTR2 1931/4885PKM 701/4885
US-20050159407-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF HCRTR1 1854/4885HCRTR2 1931/4885PKM 701/4885

“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.