SCHEMBL250696

SCHEMBL250696

CS(=O)(=O)c1ccc(CNC(=O)O)cc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.50
P2RX7 Q99572 7/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PIK3CG P48736 1/20 0.44
PTPN7 P35236 1/20 0.41
DUSP3 P51452 1/20 0.41
ABCB11 O95342 1/20 0.41
EPHX2 P34913 2/20 0.41
DDR1 Q08345 1/20 0.40
ELANE P08246 1/20 0.39
NR1H4 Q96RI1 1/20 0.39

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
SCHEMBL10232987 0.84 BRD9 (0.48) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL10278682 0.81 PTGDR2 (0.40) PTGDR2P2RX7PIK3CDPIK3CAPIK3CB
SCHEMBL11315899 0.79 GSTO1 (0.43) PTGDR2P2RX7
SCHEMBL2394698 0.78 PTGDR2 (0.47) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12059397 0.77 PTGDR2 (0.46) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1940171 0.76 PTGDR2 (0.42) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1146258 0.76 PTGDR2 (0.42) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL620473 0.76 PTGDR2 (0.47) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL249100 0.75 PTGDR2 (0.42) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL28088574 0.74 PTGDR2 (0.42) PTGDR2PIK3CDPIK3CAPIK3CBPIK3CG

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-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 PTGDR2 145/4885P2RX7 1113/4885PIK3CD 4431/4885

“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.