SCHEMBL4977528

SCHEMBL4977528

CS(=O)(=O)c1ccc(C(CC=O)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.44
ESR2 Q92731 2/20 0.43
CCR2 P41597 1/20 0.43

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
SCHEMBL4975056 1.00 PTGS2 (0.44) PTGS2ESR2CCR2
SCHEMBL5459229 0.85 AKR1C3 (0.44) PTGS2
SCHEMBL27643617 0.85 AKR1C3 (0.44) PTGS2
SCHEMBL4915625 0.83 EPHX2 (0.43) PTGS2ESR2
SCHEMBL4915630 0.83 EPHX2 (0.43) PTGS2ESR2
SCHEMBL5461040 0.82 PTGS2 (0.38) PTGS2ESR2
SCHEMBL5461042 0.82 PTGS2 (0.38) PTGS2ESR2
SCHEMBL68782 0.81 HTR2A (0.46)
SCHEMBL5454518 0.81 LMNA (0.37) PTGS2
SCHEMBL6011425 0.79 CCR2 (0.49) PTGS2ESR2CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 US disclosed
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US disclosed
EP-1648871-B1 PIPERIDINE OR 8-AZA-BICYCLO 3.2.1 OCT-3-YL DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2007-10-17 EP disclosed
CN-101006057-A Novel piperidine/8-azabicyclo [3.2.1] octan derivatives as moduilators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2007-07-25 CN disclosed
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators ASTRAZENECA AB (SE) 2007-05-17 US disclosed
EP-1761491-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-03-14 EP disclosed
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis ASTRAZENECA AB (SE) 2007-01-18 US disclosed
US-20060205769-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2006-09-14 US disclosed
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 ASTRAZENECA AB (SE) 2006-08-24 US disclosed
CN-1784393-A Chemical compounds ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1654229-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS AstraZeneca AB (SE) 2006-05-10 EP disclosed
WO-2006001752-A1 NOVEL PIPERIDINE/8-AZABICYCLO [3.2.1] OCTAN DERIVATIVES AS MODUILATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2006-01-05 WO disclosed
EP-1572650-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2005-09-14 EP disclosed
WO-2005009959-A1 PIPERIDINE DERIVATIVES AS CCR5 RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2005-02-03 WO disclosed
US-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2005-01-20 US disclosed
EP-1448524-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2004056773-A1 NOVEL PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2004-07-08 WO disclosed
WO-2003042177-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-05-22 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 (6 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-20060205769-A1 Piperidine or 8-aza-bicyclo[3.2.1]oct-3-yl derivatives useful as modulators of chemokine receptor activity CCR5, CCR2, CCR7 PTGS2 1313/4885ESR2 1038/4885CCR2 2/4885
US-20070015788-A1 N-(3-Aryl-3-substitutedphenylpropyl) piperidines or 8-azabicyclo[3.2.1]octanes that are additionally substituted with an optionally fused 5-member N-heterocycle; the compounds are modulators of CCR5 receptor activity and are used in treating diseases such as rheumatoid arthritis CCR5, CCR2, CX3CR1 PTGS2 553/4885ESR2 505/4885CCR2 2/4885
US-20050014788-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCL2 PTGS2 333/4885ESR2 409/4885CCR2 2/4885
US-20070112022-A1 Piperidine derivatives as ccr5 receptor modulators CCR5, CCR2, CCR6 PTGS2 927/4885ESR2 234/4885CCR2 2/4885
US-20060189650-A1 Novel piperidine derivatives as modulators of chemokine receptor ccr5 CCR5, CCR2, CCR1 PTGS2 1517/4885ESR2 653/4885CCR2 2/4885
US-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 PTGS2 1175/4885ESR2 931/4885CCR2 3/4885

“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.