SCHEMBL3534971

SCHEMBL3534971

Cc1ccc(S(=O)(=O)N2CCNC(=O)C2CC(=O)O)cc1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.76
POLB P06746 1/20 0.76
MAPT P10636 1/20 0.76
KMT2A Q03164 1/20 0.59
CYP3A4 P08684 3/20 0.57
CYP2C19 P33261 2/20 0.57
GAA P10253 1/20 0.57
BDKRB1 P46663 12/20 0.54
TSHR P16473 1/20 0.52
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 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
SCHEMBL3534966 1.00 ALDH1A1 (0.76) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL5982477 0.89 ALDH1A1 (0.74) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL5982557 0.89 ALDH1A1 (0.74) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL5984080 0.89 ALDH1A1 (0.74) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4513013 0.88 ALDH1A1 (0.72) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4513008 0.88 ALDH1A1 (0.72) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4559882 0.87 ALDH1A1 (0.62) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4522733 0.85 KMT2A (0.76) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4526154 0.84 ALDH1A1 (0.77) ALDH1A1POLBMAPTKMT2ACYP3A4
SCHEMBL4526157 0.84 ALDH1A1 (0.77) ALDH1A1POLBMAPTKMT2ACYP3A4

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-7662811-B2 N-(((5R)-5-((1-methylethyl)amino)-5,6,7,8-tetrahydro-2-naphthalenyl)methyl)-2-((2R)-1-((4-methylphenyl)sulfonyl)-3-oxo-1,2,3,4-tetrahydro-2-pyrazinyl)acetamide; for treatment of pain and diseases, such as inflammation mediated diseases AMGEN INC. (US) 2010-02-16 US disclosed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
EP-1817294-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS Amgen Inc. (US) 2007-08-15 EP disclosed
CN-1849121-A Piperazine derivatives as bradyknin antagonist AMGEN INC (US) 2006-10-18 CN disclosed
EP-1656355-A2 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2006-05-17 EP disclosed
WO-2006019975-A1 1,2,3,4-TETRAHYDROPYRAZIN-2-YL ACETAMIDES AND THEIR USE AS BRADYKININ ANTAGONISTS FOR THE TREATMENT OF INFLAMMATION RELATED DISORDERS AMGEN INC. (US) 2006-02-23 WO disclosed
US-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AMGEN INC. 2006-02-02 US disclosed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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-20060025400-A1 1,2,3,4-Tetrahydropyrazin-2-yl acetamides and methods of use AADAC, PTGES2, LTC4S ALDH1A1 158/4885POLB 2952/4885MAPT 3668/4885
US-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ALDH1A1 184/4885POLB 1384/4885MAPT 3351/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE ALDH1A1 81/4885POLB 3504/4885MAPT 41/4885

“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.