SCHEMBL2113926

SCHEMBL2113926

CCS(=O)(=O)N(Cc1ccccc1)c1ncc(-c2cc(Cl)ccc2O)cn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 3/20 0.39
GRM2 Q14416 11/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDK1 Q15118 1/20 0.37
CDK9 P50750 1/20 0.36
TUBB P07437 1/20 0.36

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
SCHEMBL2113204 0.90 ALDH1A1 (0.43) TRPM8LMNAHTTNPSR1CYP1A2
SCHEMBL1753664 0.84 PTGDR2 (0.56)
SCHEMBL2111844 0.80 PDK1 (0.45) LMNAHTTNPSR1CYP1A2CYP3A4
SCHEMBL1753571 0.74 PTGDR2 (0.57)
SCHEMBL2112891 0.73 GRM2 (0.47) GRM2HTT
SCHEMBL2110554 0.73 IDO1 (0.39) LMNAHTTNPSR1CYP1A2CYP3A4
SCHEMBL5764248 0.70 VNN1 (0.53) LMNANPSR1CYP3A4CDK9
SCHEMBL27658652 0.69 IDO1 (0.37) LMNAHTTNPSR1CYP1A2CYP3A4
SCHEMBL1690311 0.65 PTGDR2 (0.59)
SCHEMBL29383789 0.65 BACE1 (0.62) LMNANPSR1CYP1A2CYP3A4

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 8 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-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US disclosed
CN-100575330-C Novel compounds ASTRAZENECA AB 2009-12-30 CN disclosed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US disclosed
CN-1791572-A Novel compounds ASTRAZENECA AB (SE) 2006-06-21 CN 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 TRPM8 1607/4885GRM2 1080/4885LMNA 2362/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 TRPM8 1607/4885GRM2 1080/4885LMNA 2362/4885

“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.