SCHEMBL3369835

SCHEMBL3369835

Cc1ccc2[nH]c(C)c(Oc3ccc(S(C)(=O)=O)cc3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.62
PTGS1 P23219 10/20 0.62
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL3368897 0.86 PTGS2 (0.73) PTGS2PTGS1GAA
SCHEMBL3375065 0.83 PTGS2 (0.58) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL3372381 0.83 PTGS2 (0.56) PTGS2PTGS1MAPTL3MBTL1
SCHEMBL3373499 0.76 PTGS2 (0.62) PTGS2PTGS1MAPTKDM4EMEN1
SCHEMBL5102772 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5114766 0.76 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3374383 0.76 PTGS2 (0.61) PTGS2PTGS1SMN1; SMN2MAPTHTT
SCHEMBL22898798 0.73 HSD17B10 (0.50) SMN1; SMN2HSD17B10MAPTL3MBTL1KDM4E
SCHEMBL13814624 0.73 HTT (0.63) PTGS2PTGS1SMN1; SMN2MAPTHTT
SCHEMBL2758531 0.73 HTT (0.63) PTGS2PTGS1SMN1; SMN2MAPTHTT

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 PTGS2 338/4885PTGS1 179/4885SMN1; SMN2 3942/4885

“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.