SCHEMBL1331622

SCHEMBL1331622

CS(=O)(=O)c1ccc(Sc2cc(C(F)(F)F)ccc2O)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.48
SMO Q99835 1/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
PTGS2 P35354 2/20 0.40
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
CACNA1B Q00975 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1331581 0.83 PTGS2 (0.43) PTGS2PDK1PDK2PDK3PDK4
SCHEMBL1332199 0.83 MEN1 (0.57) PTGDR2PTGS2LMNAMAPTCA2
SCHEMBL3935196 0.82 PTGDR2 (0.51) PTGDR2SMOKCNQ3KCNQ2PDK1
SCHEMBL1333540 0.79 PTGDR2 (0.70) PTGDR2CYP2C19
SCHEMBL5433357 0.78 PTGDR2 (0.57) PTGDR2SMOKCNQ3KCNQ2SLC6A9
SCHEMBL1333382 0.78 PTGDR2 (0.57) PTGDR2SMOKCNQ3KCNQ2SLC6A9
SCHEMBL2111861 0.78 PTGDR2 (0.63) PTGDR2SMOPTGS2PDK1PDK2
SCHEMBL1332176 0.76 PTGDR2 (0.50) PTGDR2KCNQ3KCNQ2SLC6A9
SCHEMBL1331659 0.75 SMO (0.51) PTGDR2SMOPTGS2PDK1PDK2
SCHEMBL1654842 0.75 PTGDR2 (0.54) PTGDR2SMOBRD4SLC6A9MEN1

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
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US claimed
JP-2007502806-A 2007-02-15 JP claimed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US claimed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP claimed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO claimed
US-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 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 (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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 PTGDR2 13/4885SMO 485/4885KCNQ3 2843/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN PTGDR2 256/4885SMO 670/4885KCNQ3 956/4885

“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.