SCHEMBL4609205

SCHEMBL4609205

COC(=O)CCc1ccc(Cl)cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.63
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL14026612 0.89 PTGDR2 (0.68) PTGDR2ALDH1A1KDM4ENPC1
SCHEMBL4607574 0.86 PTGDR2 (0.62) PTGDR2ALDH1A1KDM4ENPC1
SCHEMBL4608527 0.86 PTGDR2 (0.75) PTGDR2
SCHEMBL4942617 0.78 PTGDR2 (0.63) PTGDR2
SCHEMBL4940295 0.78 PTGDR2 (0.63) PTGDR2ALDH1A1KDM4E
SCHEMBL1713829 0.77 PTGDR2 (1.00) PTGDR2KMT2A
SCHEMBL4934378 0.76 PTGDR2 (0.83) PTGDR2
SCHEMBL4939937 0.76 PTGDR2 (0.67) PTGDR2
SCHEMBL4622645 0.76 PTGDR2 (0.83) PTGDR2
SCHEMBL4942884 0.75 PTGDR2 (0.60) PTGDR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255150-A1 Novel Compounds ASTRAZENECA AB (SE) 2008-10-16 US disclosed
EP-1948630-A2 NOVEL COMPOUNDS AstraZeneca AB (SE) 2008-07-30 EP disclosed
WO-2007052023-A2 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-05-10 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-20080255150-A1 Novel Compounds CFTR, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP11B2 PTGDR2 620/4885ALDH1A1 239/4885KDM4E 3205/4885

“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.