SCHEMBL2114029

SCHEMBL2114029

C[C@H](Oc1ccc(C#N)cc1-c1ccc(C(F)(F)F)cc1F)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.67
ABCB11 O95342 1/20 0.48
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.40
CETP P11597 1/20 0.40
APP P05067 1/20 0.39
MGLL Q99685 1/20 0.38
SLC22A12 Q96S37 3/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1753816 0.91 PTGDR2 (0.70) PTGDR2ABCB11AKR1C3AKR1C2MRGPRX4
SCHEMBL1753444 0.80 PTGDR2 (1.00) PTGDR2ABCB11AKR1C3AKR1C2MRGPRX4
SCHEMBL4975670 0.79 PTGDR2 (0.51) PTGDR2MGLLSLC22A12GAASMN1; SMN2
SCHEMBL1753689 0.78 PTGDR2 (0.65) PTGDR2ABCB11AKR1C3AKR1C2
SCHEMBL1690253 0.75 TSHR (0.53) PTGDR2MRGPRX4SLC22A12GAASMN1; SMN2
SCHEMBL21399465 0.74 PTGDR2 (0.56) PTGDR2MRGPRX4APP
SCHEMBL1690343 0.72 PTGDR2 (0.61) PTGDR2ABCB11MRGPRX4MGLL
SCHEMBL10480779 0.71 PTGDR2 (0.50) PTGDR2MGLLSLC22A12GAASMN1; SMN2
SCHEMBL22804474 0.71 PTGDR2 (0.53) PTGDR2ABCB11MRGPRX4SLC22A12GAA
SCHEMBL22804473 0.71 PTGDR2 (0.53) PTGDR2ABCB11MRGPRX4SLC22A12GAA

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 10 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 claimed
US-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US claimed
US-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 US claimed
US-20060264435-A1 Novel compounds ASTRAZENECA AB (SE) 2006-11-23 US claimed
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
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 438/4885ABCB11 263/4885AKR1C3 333/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885ABCB11 263/4885AKR1C3 333/4885

“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.