SCHEMBL3370533

SCHEMBL3370533

COC(=O)Cn1c(C)c(Oc2ccc(C(=O)NCCNC(O)OC(C)(C)C)cc2)c2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.47
MAPT P10636 7/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AKR1B1 P15121 1/20 0.40
TP53 P04637 2/20 0.35
PTGS2 P35354 1/20 0.35
S1PR2 O95136 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
MMP13 P45452 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3370495 0.93 PTGDR2 (0.57) PTGDR2AKR1B1
SCHEMBL3370888 0.82 PTGDR2 (0.57) PTGDR2MAPTALDH1A1LMNAHK1
SCHEMBL3369841 0.80 PTGDR2 (0.59) PTGDR2MAPTALDH1A1LMNAHK1
SCHEMBL3372448 0.76 PTGDR2 (0.56) PTGDR2MAPTALDH1A1LMNAHK1
SCHEMBL2050555 0.75 PTGDR2 (0.66) PTGDR2AKR1B1
SCHEMBL2053285 0.74 PTGDR2 (0.70) PTGDR2MAPTAKR1B1
SCHEMBL3370516 0.73 PTGDR2 (0.55) PTGDR2MAPTLMNAAKR1B1TP53
SCHEMBL2053814 0.72 PTGDR2 (0.70) PTGDR2AKR1B1
SCHEMBL3372375 0.72 PTGDR2 (0.72) PTGDR2AKR1B1
SCHEMBL3374154 0.72 PTGDR2 (0.55) PTGDR2MAPTAKR1B1PTGS2

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 303/4885MAPT 1916/4885ALDH1A1 389/4885

“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.