SCHEMBL489457

SCHEMBL489457

CNC(=O)[C@@H]1CCC[N+]1(C)S(=O)(=O)Nc1cc(Cl)nc(SCc2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 13/20 0.42
PPARA Q07869 3/20 0.37
PPARG P37231 2/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
PPARD Q03181 1/20 0.36
ADORA3 P0DMS8 4/20 0.35

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
SCHEMBL489557 1.00 CXCR2 (0.42) CXCR2PPARAPPARGRXRARXRB
SCHEMBL489947 0.86 CXCR2 (0.60) CXCR2
SCHEMBL489500 0.86 CXCR2 (0.60) CXCR2
SCHEMBL489440 0.73 CXCR2 (0.67) CXCR2PPARAPPARGRXRARXRB
SCHEMBL489969 0.70 CXCR2 (0.67) CXCR2PPARAPPARGRXRARXRB
SCHEMBL489456 0.70 CXCR2 (0.43) CXCR2PPARAPPARGRXRARXRB
SCHEMBL489556 0.70 CXCR2 (0.43) CXCR2PPARAPPARGRXRARXRB
SCHEMBL6639900 0.65 RAB9A (0.54) CXCR2PPARAPPARGRXRARXRB
SCHEMBL489903 0.64 RAB9A (0.62) PPARG
SCHEMBL6642150 0.63 CXCR2 (0.53) CXCR2PPARAPPARGRXRARXRB

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
EP-1527051-B1 PYRIMIDYL SULPHONE AMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2012-09-12 EP disclosed
US-8106063-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-01-31 US disclosed
US-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2010-03-11 US disclosed
US-7582644-B2 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2009-09-01 US disclosed
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2006-02-02 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 (2 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-20100063079-A1 Pyrimidyl Sulphone Amide Derivatives as Chemokine Receptor Modulators ACKR3, GPR17, CCL11 CXCR2 38/4885PPARA 594/4885PPARG 301/4885
US-20060025432-A1 Pyrimidyl sulphone amide derivatives as chemokine receptor modulators ACKR3, GPR17, CCL11 CXCR2 38/4885PPARA 594/4885PPARG 301/4885

“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.