SCHEMBL10083072

SCHEMBL10083072

O=C=Nc1cccc2c1OC(F)(F)O2

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.43
FFAR4 Q5NUL3 1/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
MPO P05164 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL1972557 0.83 ALDH1A1 (0.40) CYP3A4MPO
SCHEMBL3199071 0.77 FFAR4 (0.32) FFAR4HTR1ADRD2HTR2AMPO
SCHEMBL5468578 0.70 ATR (0.38) FFAR4HTR1ADRD2HTR2AMPO
SCHEMBL3756039 0.69 CYP3A4 (0.46) CYP3A4GABRA1GABRB2
SCHEMBL31135849 0.69 CYP3A4 (0.46) CYP3A4
SCHEMBL10175066 0.69 CYP3A4 (0.46) CYP3A4
SCHEMBL30677836 0.69 FFAR4 (0.37) FFAR4HTR1ADRD2HTR2AMPO
SCHEMBL978248 0.67 MPO (0.33) FFAR4HTR1ADRD2HTR2AMPO
SCHEMBL13551133 0.67 MPO (0.33) FFAR4HTR1ADRD2HTR2AMPO
SCHEMBL334653 0.67 MPO (0.39) CYP3A4FFAR4HTR1ADRD2HTR2A

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
EP-2009992-B1 IL-8 RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2012-06-27 EP disclosed
US-20110105563-A1 IL-8 RECEPTOR ANTAGONISTS BUSCH-PETERSEN JAKOB 2011-05-05 US disclosed
US-20110105563-A1 IL-8 RECEPTOR ANTAGONISTS BUSCH-PETERSEN JAKOB 2011-05-05 US disclosed
US-20110059937-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION 2011-03-10 US disclosed
US-20110059937-A1 IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION 2011-03-10 US disclosed
US-7893089-B2 IL-8 receptor antagonists GlaxoSmithKline, LLC (US) 2011-02-22 US disclosed
US-7893089-B2 IL-8 receptor antagonists GlaxoSmithKline, LLC (US) 2011-02-22 US disclosed
US-20090298810-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2009-12-03 US disclosed
US-20090093451-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 US disclosed
US-20090093451-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION (US) 2009-04-09 US disclosed
US-20070249672-A1 IL-8 Receptor Antagonists GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-20070249672-A1 IL-8 Receptor Antagonists GLAXOSMITHKLINE LLC 2007-10-25 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 (5 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-20110105563-A1 IL-8 RECEPTOR ANTAGONISTS CXCL8, CCR8, IL1RN CYP3A4 3211/4885FFAR4 225/4885HTR1A 1459/4885
US-20070249672-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN CYP3A4 3211/4885FFAR4 225/4885HTR1A 1459/4885
US-20110059937-A1 IL-8 RECEPTOR ANTAGONISTS CXCL8, CCR8, IL1RN CYP3A4 3211/4885FFAR4 225/4885HTR1A 1459/4885
US-20090298810-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN CYP3A4 3218/4885FFAR4 262/4885HTR1A 1472/4885
US-20090093451-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN CYP3A4 3211/4885FFAR4 225/4885HTR1A 1459/4885

“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.