SCHEMBL2113030

SCHEMBL2113030

Cc1nc(S(C)(=O)=O)ncc1-c1cc(Cl)ccc1OCC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 17/20 0.64
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL2112959 0.83 PTGER1 (0.55)
SCHEMBL2111568 0.78 IDO1 (0.40) TDP1
SCHEMBL12147110 0.77 PTGDR2 (0.65) PTGDR2TDP1TSHR
SCHEMBL12147175 0.77 PTGDR2 (0.77) PTGDR2
SCHEMBL16192818 0.76 TP53 (0.40)
SCHEMBL1753405 0.76 KDM4E (0.49) PTGDR2TSHR
SCHEMBL12147177 0.76 PTGDR2 (0.66) PTGDR2
SCHEMBL12147216 0.75 PTGDR2 (0.82) PTGDR2TDP1TSHR
SCHEMBL2183188 0.75 PTGDR2 (0.53) PTGDR2TDP1TSHR
SCHEMBL1753560 0.75 PTGDR2 (0.80) PTGDR2

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
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US disclosed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1611091-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2006-01-04 EP disclosed
WO-2004089885-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2004-10-21 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-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885TDP1 3990/4885TSHR 2760/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885TDP1 3990/4885TSHR 2760/4885

“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.