SCHEMBL1332576

SCHEMBL1332576

COc1ccc(F)cc1Nc1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.51
PTGS2 P35354 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
EGFR P00533 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK9 P50750 1/20 0.42
TOP2B Q02880 1/20 0.41

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
SCHEMBL1332152 0.83 PTGDR2 (0.55) LRRK2
SCHEMBL1332556 0.82 PTGDR2 (0.43) LRRK2ALDH1A1PDK1PDK2PDK3
SCHEMBL1332513 0.82 PDK1 (0.47) LRRK2PTGS2ALDH1A1LMNAMAPT
SCHEMBL5983987 0.79 PTGDR2 (0.52) PDK1PDK2PDK3PDK4
SCHEMBL1332630 0.74 PTGS2 (0.46) PTGS2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8180493 0.73 CHRNA7 (0.48) PTGS2SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1333288 0.72 PTGDR2 (0.56)
SCHEMBL1332614 0.71 PTGDR2 (0.56) ALDH1A1
SCHEMBL1331607 0.71 PTGDR2 (0.48) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL5387505 0.71 PTGDR2 (0.51) LRRK2KMT2AALDH1A1MAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 LRRK2 3963/4885PTGS2 21/4885SMN1; SMN2 4388/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN LRRK2 4174/4885PTGS2 194/4885SMN1; SMN2 2874/4885

“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.