SCHEMBL4162988

SCHEMBL4162988

CN1CCN(S(=O)(=O)c2c(Cl)ccc(NC(=O)Nc3cccc(F)c3Cl)c2O)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.84

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.84

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
SCHEMBL1562925 0.92 CXCR2 (1.00) CXCR2
Hydrochloric Acid SCHEMBL4355911 0.91 CXCR2 (0.98) CXCR2
Elubrixin SCHEMBL1663270 0.91 CXCR2 (0.83) CXCR2
SCHEMBL13629874 0.86 CXCR2 (0.70) CXCR2
SCHEMBL4162992 0.85 CXCR2 (0.68) CXCR2
SCHEMBL1562889 0.81 CXCR2 (0.81) CXCR2
SCHEMBL13096283 0.81 CXCR2 (0.79) CXCR2
Elubrixin SCHEMBL1562280 0.81 CXCR2 (1.00) CXCR2
Elubrixin SCHEMBL30515706 0.81 CXCR2 (1.00) CXCR2
SCHEMBL17293264 0.80 CXCR2 (0.74) CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170871-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-07-02 US claimed
EP-2034832-A2 IL-8 RECEPTOR ANTAGONIST SmithKline Beecham Corporation (US) 2009-03-18 EP claimed
WO-2007150016-A2 IL-8 RECEPTOR ANTAGONIST SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO claimed
US-20090281110-A1 Method of Treatment SMITHKLINE BEECHAM CORPORATION 2009-11-12 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-20090281110-A1 Method of Treatment ESR2, CTH, SULT2A1 CXCR2 2176/4885
US-20090170871-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN CXCR2 12/4885

“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.