SCHEMBL4117458

SCHEMBL4117458

O=C(O)COc1ccc(C(F)(F)F)cc1CN1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.75
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
MGLL Q99685 1/20 0.45
FAAH O00519 1/20 0.43
PTGDR Q13258 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL1714764 0.97 PTGDR2 (0.80) PTGDR2ALDH1A1KDM4EMEN1MAPT
SCHEMBL1714524 0.90 PTGDR2 (0.80) PTGDR2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL1714395 0.90 PTGDR2 (0.93) PTGDR2ALDH1A1KDM4EMGLL
SCHEMBL1713823 0.87 PTGDR2 (0.75) PTGDR2ALDH1A1MGLLPTGDRL3MBTL1
SCHEMBL1713751 0.86 PTGDR2 (1.00) PTGDR2ALDH1A1KDM4EMGLLL3MBTL1
SCHEMBL1713820 0.77 PTGDR2 (0.79) PTGDR2ALDH1A1KDM4EMGLL
SCHEMBL1714016 0.77 PTGDR2 (0.78) PTGDR2MGLL
SCHEMBL1714387 0.76 PTGDR2 (1.00) PTGDR2ALDH1A1KDM4E
SCHEMBL1714457 0.76 PTGDR2 (0.78) PTGDR2
SCHEMBL13800153 0.75 PTGDR2 (0.72) PTGDR2MEN1KMT2AMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US claimed

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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH PTGDR2 236/4885ALDH1A1 288/4885KDM4E 1277/4885

“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.