SCHEMBL2962434

SCHEMBL2962434

Cc1cc2c(-c3ccnc4cc(Cl)ccc34)c(C)[nH]c2cc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
PTGDR2 Q9Y5Y4 3/20 0.43
PTGS1 P23219 4/20 0.42
MAP3K14 Q99558 2/20 0.40
PAX8 Q06710 1/20 0.39
SCN9A Q15858 1/20 0.39
PTGS2 P35354 3/20 0.38
AAK1 Q2M2I8 2/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 2/20 0.37
NR4A2 P43354 1/20 0.36
SOS2 Q07890 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36
TGFBR1 P36897 1/20 0.36
MAPK14 Q16539 1/20 0.36

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
SCHEMBL2962412 0.83 PTGS2 (0.46) TLR8PTGDR2PTGS1MAP3K14PAX8
SCHEMBL317371 0.79 PTGDR2 (0.52) TLR8PTGDR2PTGS1MAP3K14KDM4E
SCHEMBL2961240 0.77 MAP3K14 (0.48) TLR8PTGDR2PTGS1MAP3K14AAK1
SCHEMBL317795 0.75 HTR2A (0.46) TLR8PTGDR2PTGS1MAP3K14ALDH1A1
SCHEMBL317216 0.75 PTGDR2 (0.72) PTGDR2PTGS1PTGS2
SCHEMBL2959357 0.75 MAP3K14 (0.48) PTGDR2MAP3K14PTGS2
SCHEMBL27304408 0.73 PAX8 (0.55) PAX8ALDH1A1KDM4EHTTNR4A2
SCHEMBL4900473 0.72 TLR8 (0.46) TLR8PTGDR2PTGS1NR4A2SOS2
SCHEMBL2954873 0.72 TLR8 (0.44) TLR8PTGDR2PTGS1MAP3K14NR4A2
SCHEMBL3042442 0.70 HTR1A (0.42) PTGDR2PTGS1MAP3K14ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210685-A1 Novel Substituted Indoles ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7754735-B2 Substituted indoles ASTRAZENECA AB (SE) 2010-07-13 US disclosed
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) ASTRAZENECA AB (SE) 2005-10-06 US 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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 TLR8 2119/4885PTGDR2 429/4885PTGS1 413/4885
US-20050222201-A1 such as 3-(2-chloro-4-quinolinyl)-2,5-dimethyl-1H-indole-1-acetic acid, used for treating respiratory system disorders and as inhibitors of G protein-coupled receptor chemoattractant homologous receptor expressed on lymphocyte cells (CRTH2) HRH2, HRH1, HCAR2 TLR8 950/4885PTGDR2 54/4885PTGS1 191/4885

“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.