SCHEMBL2114449

SCHEMBL2114449

CCSc1ccc(-c2cc(C(F)(F)F)ccc2O)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.47
BIRC5 O15392 1/20 0.36
TMPRSS4 Q9NRS4 3/20 0.36
CHRNA7 P36544 1/20 0.36
CYP2C9 P11712 4/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PDE2A O00408 1/20 0.35
P2RX1 P51575 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
MAPT P10636 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARD Q03181 1/20 0.34

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
SCHEMBL2111525 0.77 PTGDR2 (0.42) PTGDR2TMPRSS4P2RX1P2RX4P2RX7
SCHEMBL2113785 0.75 PTGDR2 (0.65) PTGDR2MAPT
SCHEMBL3723662 0.75 HSD17B10 (0.50) CYP2C9MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2112002 0.75 CA1 (0.50) PTGDR2BIRC5TMPRSS4CHRNA7PDE2A
SCHEMBL2111861 0.72 PTGDR2 (0.63) PTGDR2
SCHEMBL7054031 0.69 PTGDR2 (0.48) PTGDR2CYP1A2CYP3A4CYP2C19
SCHEMBL19785361 0.69 PDE2A (0.52) PTGDR2PDE2AMAPT
SCHEMBL29113706 0.68 ESR1 (0.40) MAPTCYP3A4
SCHEMBL18680739 0.67 ALDH1A1 (0.54) PTGDR2MAPT
SCHEMBL5419940 0.67 PTGDR2 (0.57) PTGDR2MAPTCYP1A2CYP3A4CYP2C19

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 6 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-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 438/4885BIRC5 4458/4885TMPRSS4 2032/4885
US-20060264435-A1 Novel compounds ADRA2C, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR2 PTGDR2 438/4885BIRC5 4458/4885TMPRSS4 2032/4885

“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.