SCHEMBL3373499

SCHEMBL3373499

CCS(=O)(=O)c1ccc(Oc2c(C)[nH]c3ccc(F)cc23)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.62
PTGS1 P23219 7/20 0.62
AKR1B1 P15121 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.40
SLC6A4 P31645 1/20 0.40
POLB P06746 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL3373811 0.86 AKR1B1 (0.56) PTGS2PTGS1AKR1B1PTGDR2MEN1
SCHEMBL3374383 0.84 PTGS2 (0.61) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL3371953 0.79 PTGS1 (0.56) PTGS2PTGS1PTGDR2MEN1KMT2A
SCHEMBL3370443 0.79 PTGS1 (0.48) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL5102772 0.77 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL3369835 0.76 PTGS2 (0.62) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL3370977 0.76 PTGS1 (0.51) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL3371013 0.75 PTGS1 (0.50) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL3369796 0.75 PARP1 (0.51) PTGS2PTGS1MEN1KMT2AKDM4E
SCHEMBL3368897 0.74 PTGS2 (0.73) PTGS2PTGS1LMNAHPGD

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 179/4885AKR1B1 296/4885

“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.