SCHEMBL5455962

SCHEMBL5455962

CS(=O)(=O)c1ccc(C(CC=O)c2cc(Cl)cs2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.36
CNR2 P34972 3/20 0.36
RORC P51449 2/20 0.36
PTGS1 P23219 1/20 0.33

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
SCHEMBL5455958 1.00 PTGS2 (0.36) PTGS2CNR2RORCPTGS1
SCHEMBL5450659 0.79 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL5450667 0.79 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL5454511 0.77 LMNA (0.37) PTGS2
SCHEMBL5454518 0.77 LMNA (0.37) PTGS2
SCHEMBL5490989 0.74 CCR5 (0.46) PTGS2
SCHEMBL5494676 0.74 CCR5 (0.46) PTGS2
SCHEMBL4975056 0.74 PTGS2 (0.44) PTGS2
SCHEMBL4977528 0.74 PTGS2 (0.44) PTGS2
SCHEMBL5461040 0.73 PTGS2 (0.38) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294636-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-11-13 US 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
CN-1784393-A Chemical compounds ASTRAZENECA AB (SE) 2006-06-07 CN disclosed
EP-1625120-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2006-02-15 EP disclosed
WO-2004099178-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-11-18 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 (1 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-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 553/4885CNR2 88/4885RORC 55/4885

“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.