SCHEMBL6076540

SCHEMBL6076540

C=CCC(C(=O)OCc1ccccc1)C(C(=O)OC(C)(C)C)N(CC=C)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.41
NFE2L2 Q16236 3/20 0.41
TAS2R14 Q9NYV8 2/20 0.40
PTGES O14684 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.39
CXCR3 P49682 1/20 0.39
MMP9 P14780 6/20 0.39
MMP2 P08253 5/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 1/20 0.38
POLB P06746 1/20 0.38
MMP3 P08254 3/20 0.38
BMP1 P13497 1/20 0.38
MMP13 P45452 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MMP1 P03956 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL7387786 0.96 KEAP1 (0.38) KEAP1NFE2L2TAS2R14PTGESTAS2R8
SCHEMBL22787828 0.82 KMT2A (0.47) KEAP1NFE2L2MMP9MMP2CA1
SCHEMBL6076758 0.81 MMP13 (0.47) MMP9MMP2CA1CA2POLB
SCHEMBL15619008 0.76 SYK (0.44) POLBNPSR1
SCHEMBL15619007 0.76 SYK (0.44) POLBNPSR1
SCHEMBL7089280 0.75 MMP2 (0.59) KEAP1NFE2L2TAS2R14PTGESTAS2R8
SCHEMBL7089279 0.75 MMP2 (0.59) KEAP1NFE2L2TAS2R14PTGESTAS2R8
SCHEMBL4313668 0.73 TAS2R14 (0.45) KEAP1NFE2L2TAS2R14
SCHEMBL13639193 0.72 MMP9 (0.64) KEAP1NFE2L2CXCR3MMP9MMP2
SCHEMBL13639272 0.72 MMP9 (0.64) KEAP1NFE2L2CXCR3MMP9MMP2

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 12 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
EP-1040099-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS Amgen Inc., (US) 2000-10-04 EP disclosed
US-6107291-A ANTIINFLAMMATORY AGENT AMGEN INC. (US) 2000-08-22 US disclosed
WO-1999032451-A1 AZEPINE OR LARGER MEDIUM RING DERIVATIVES AND THEIR USE AS PHARMACEUTICALS AMGEN INC. (US) 1999-07-01 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 (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 KEAP1 433/4885NFE2L2 764/4885TAS2R14 3496/4885
US-20020065269-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF KEAP1 433/4885NFE2L2 764/4885TAS2R14 3496/4885
US-20050159407-A1 Carboxylic acid substituted heterocycles, derivatives thereof and methods of use HCAR2, HCAR1, TNF KEAP1 433/4885NFE2L2 764/4885TAS2R14 3496/4885

“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.