SCHEMBL3374906

SCHEMBL3374906

COC(=O)c1ccc(Oc2c(C)n(CC(=O)OC(C)(C)C)c3ccc(Cl)cc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.54
PLA2G4A P47712 1/20 0.42
PTGS2 P35354 5/20 0.41
AKR1B1 P15121 1/20 0.41
CNR2 P34972 1/20 0.40
AKR1C3 P42330 1/20 0.40
PLA2G2A P14555 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.37
RGS12 O14924 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
TSHR P16473 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3372448 0.90 PTGDR2 (0.56) PTGDR2PTGS2AKR1B1AKR1C3ALDH1A1
SCHEMBL2052563 0.87 PTGDR2 (0.71) PTGDR2PTGS2AKR1B1AKR1C3ALDH1A1
SCHEMBL3375010 0.81 PTGDR2 (0.57) PTGDR2PTGS2AKR1B1CNR2AKR1C3
SCHEMBL3370516 0.80 PTGDR2 (0.55) PTGDR2PTGS2AKR1B1CNR2AKR1C3
SCHEMBL3374154 0.80 PTGDR2 (0.55) PTGDR2PTGS2AKR1B1CNR2AKR1C3
SCHEMBL3372368 0.77 PTGDR2 (0.76) PTGDR2PLA2G4AAKR1B1CYP2C9
SCHEMBL2050711 0.77 PTGDR2 (0.74) PTGDR2AKR1B1AKR1C3LMNACYP1A2
SCHEMBL3373960 0.76 PTGDR2 (0.70) PTGDR2AKR1B1CYP2C9TSHR
SCHEMBL1757891 0.76 PTGDR2 (0.45) PTGDR2AKR1B1ALDH1A1CYP2C9TSHR
SCHEMBL3373433 0.74 PTGDR2 (0.67) PTGDR2AKR1B1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 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 (1 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-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases IDO1, IDO2, TPH1 PTGDR2 303/4885PLA2G4A 1368/4885PTGS2 338/4885

“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.