SCHEMBL317159

SCHEMBL317159

Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccnc2c(Cl)cccc12

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.55
NR1H3 Q13133 5/20 0.55
PTGS2 P35354 8/20 0.47
SLC40A1 Q9NP59 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.42
MAP3K14 Q99558 1/20 0.41
EIF2AK2 P19525 2/20 0.40
RXRA P19793 1/20 0.39
COMT P21964 1/20 0.39
PTGS1 P23219 2/20 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
SCHEMBL2958277 0.89 NR1H2 (0.44) NR1H2NR1H3PTGS2SLC40A1PTGDR2
SCHEMBL317189 0.85 PTGDR2 (0.53) NR1H2NR1H3PTGS2PTGDR2MAP3K14
SCHEMBL2961361 0.85 NR1H2 (0.62) NR1H2NR1H3PTGDR2RXRA
SCHEMBL2961347 0.83 PTGDR2 (0.44) NR1H2NR1H3PTGDR2MAP3K14EIF2AK2
SCHEMBL2962412 0.80 PTGS2 (0.46) PTGS2PTGDR2MAP3K14EIF2AK2PTGS1
SCHEMBL2959357 0.80 MAP3K14 (0.48) NR1H2NR1H3PTGS2PTGDR2MAP3K14
SCHEMBL2959852 0.80 KIF11 (0.42) NR1H2NR1H3SLC40A1PTGDR2MAP3K14
SCHEMBL2958727 0.76 PTGDR2 (0.48) NR1H2NR1H3PTGS2PTGDR2EIF2AK2
SCHEMBL4012775 0.75 NR1H2 (0.77) NR1H2NR1H3RXRA
SCHEMBL318733 0.74 PTGDR2 (0.78) NR1H2NR1H3PTGS2PTGDR2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093278-B2 Substituted indoles ASTRAZENECA AB (SE) 2012-01-10 US disclosed
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 NR1H2 570/4885NR1H3 680/4885PTGS2 559/4885
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 NR1H2 96/4885NR1H3 143/4885PTGS2 169/4885

“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.