SCHEMBL2962412

SCHEMBL2962412

Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccnc2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.46
PTGS1 P23219 4/20 0.46
MAP3K14 Q99558 2/20 0.46
TLR8 Q9NR97 1/20 0.42
PAX8 Q06710 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
SCN9A Q15858 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EIF2AK2 P19525 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL317371 0.85 PTGDR2 (0.52) PTGS1MAP3K14TLR8PTGDR2KDM4E
SCHEMBL2962434 0.83 TLR8 (0.44) PTGS2PTGS1MAP3K14TLR8PAX8
SCHEMBL2961240 0.83 MAP3K14 (0.48) PTGS1MAP3K14TLR8PTGDR2EIF2AK2
SCHEMBL317795 0.83 HTR2A (0.46) PTGS1MAP3K14TLR8PTGDR2ALDH1A1
SCHEMBL317159 0.80 NR1H2 (0.55) PTGS2PTGS1MAP3K14PTGDR2EIF2AK2
SCHEMBL2958277 0.77 NR1H2 (0.44) PTGS2PTGS1PTGDR2
SCHEMBL3042442 0.76 HTR1A (0.42) PTGS1MAP3K14PTGDR2KDM4EALDH1A1
SCHEMBL2959357 0.76 MAP3K14 (0.48) PTGS2MAP3K14PTGDR2EIF2AK2
SCHEMBL2954873 0.75 TLR8 (0.44) PTGS1MAP3K14TLR8PTGDR2EIF2AK2
SCHEMBL2961361 0.74 NR1H2 (0.62) PTGDR2

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
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
EP-1549634-A1 NOVEL SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2003101981-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (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 PTGS2 559/4885PTGS1 413/4885MAP3K14 3677/4885
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 PTGS2 169/4885PTGS1 191/4885MAP3K14 2656/4885

“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.