SCHEMBL2111434

SCHEMBL2111434

C[C@H](Oc1ccc(C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.47
ABCB11 O95342 1/20 0.46
MGLL Q99685 1/20 0.45
PPARG P37231 3/20 0.41
LIPE Q05469 6/20 0.40
TSHR P16473 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
KMT2A Q03164 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
SCHEMBL2110729 0.84 KMT2A (0.41) PTGDR2PPARGTSHRHTR2AHTR2C
SCHEMBL2111930 0.81 TSHR (0.57) PTGDR2LIPETSHRHTR2AHTR2C
SCHEMBL1947864 0.75 PPARG (0.46) PTGDR2PPARGLIPEPPARDPPARA
SCHEMBL1438988 0.75 CYP1A2 (0.45) LIPEKMT2A
SCHEMBL3343296 0.74 PTGDR2 (0.54) PTGDR2ABCB11MGLLPPARGTSHR
SCHEMBL2101990 0.74 PTGDR2 (0.54) PTGDR2ABCB11MGLLPPARGTSHR
SCHEMBL4011628 0.74 PTGDR2 (0.60) PTGDR2ABCB11PPARGTSHRHTR2A
SCHEMBL2101703 0.73 PTGDR2 (0.53) PTGDR2ABCB11MGLLPPARGTSHR
SCHEMBL23152181 0.73 LIPE (0.42) LIPE
SCHEMBL28421591 0.73 ALDH1A1 (0.45) LIPEKMT2A

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 7 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
US-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases ASTRAZENECA AB (SE) 2007-10-25 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 (3 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-20070249686-A1 Modulators of Crth-2 Receptor Activity for the Treatment of Prostaglandin D2 Mediated Diseases PTGDR2, PTGDR, PTGER2 PTGDR2 1/4885ABCB11 3090/4885MGLL 1353/4885
US-20110166117-A1 Novel Compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885ABCB11 263/4885MGLL 1685/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885ABCB11 263/4885MGLL 1685/4885

“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.