SCHEMBL2113111

SCHEMBL2113111

CCCS(=O)(=O)c1ncc(-c2cc(Cl)ccc2OCC(=O)O)cn1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.64
AKR1B1 P15121 1/20 0.52
PTGDR Q13258 1/20 0.52
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL2113878 0.83 PTGER1 (0.48)
SCHEMBL12147132 0.81 PTGDR2 (0.66) PTGDR2AKR1B1PTGDR
SCHEMBL1690265 0.78 PTGDR2 (0.68) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL1753343 0.78 PTGDR2 (0.64) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL1753408 0.78 PTGDR2 (0.64) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL1753557 0.78 PTGDR2 (1.00) PTGDR2TDP1MAPT
SCHEMBL1690231 0.78 PTGDR2 (0.57) PTGDR2TDP1TSHR
SCHEMBL12147248 0.78 PTGDR2 (0.71) PTGDR2AKR1B1PTGDRTDP1TSHR
SCHEMBL1753770 0.77 PTGDR2 (0.70) PTGDR2PTGDRTDP1TSHRMAPT
SCHEMBL12147550 0.77 PTGDR2 (0.71) PTGDR2AKR1B1PTGDR

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
EP-1611091-B1 Substituted phenylalkanoic acid derivatives and their use for respiratory disease treatment ASTRAZENECA AB (SE) 2014-10-29 EP disclosed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 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 (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-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885AKR1B1 735/4885PTGDR 343/4885

“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.