SCHEMBL1753372

SCHEMBL1753372

C[C@H](Oc1ccc(F)cc1-c1cccc(C#N)c1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.74
KCNA5 P22460 1/20 0.43
KCNH2 Q12809 1/20 0.43
ADAMTS4 O75173 1/20 0.41
KMT2A Q03164 2/20 0.41
ABCB11 O95342 1/20 0.41
CTSA P10619 4/20 0.40
SLC22A12 Q96S37 3/20 0.40
DHODH Q02127 1/20 0.39
XDH P47989 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39

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
SCHEMBL4974900 0.87 PTGDR2 (0.72) PTGDR2ADAMTS4KMT2AABCB11CTSA
SCHEMBL1690335 0.86 PTGDR2 (0.71) PTGDR2ADAMTS4CTSASLC22A12
SCHEMBL1753444 0.85 PTGDR2 (1.00) PTGDR2ABCB11CTSADHODH
SCHEMBL10480779 0.74 PTGDR2 (0.50) PTGDR2KMT2ASLC22A12
SCHEMBL10094410 0.73 KCNA5 (0.48) PTGDR2KCNA5KCNH2FNTAFNTB
SCHEMBL4975670 0.72 PTGDR2 (0.51) PTGDR2KMT2ACTSASLC22A12
SCHEMBL1993975 0.72 ABCB11 (0.48) PTGDR2KMT2AABCB11
SCHEMBL16438665 0.72 CHRM3 (0.45) PTGDR2KCNA5KCNH2SLC22A12XDH
SCHEMBL10094653 0.71 KCNA5 (0.48) KCNA5KCNH2
SCHEMBL1992062 0.71 ABCB11 (0.49) PTGDR2KMT2AABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8158820-B2 Compounds ASTRAZENECA AB (SE) 2012-04-17 US 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-20110166117-A1 Novel Compounds ASTRAZENECA AB (SE) 2011-07-07 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 438/4885KCNA5 456/4885KCNH2 1301/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885KCNA5 456/4885KCNH2 1301/4885

“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.