SCHEMBL2961361

SCHEMBL2961361

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

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 19/20 0.62
NR1H3 Q13133 18/20 0.62
RXRA P19793 1/20 0.57
PTGDR2 Q9Y5Y4 1/20 0.43

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 0.87 NR1H2 (0.44) NR1H2NR1H3RXRAPTGDR2
SCHEMBL317661 0.85 PTGDR2 (0.54) NR1H2NR1H3RXRAPTGDR2
SCHEMBL317159 0.85 NR1H2 (0.55) NR1H2NR1H3RXRAPTGDR2
SCHEMBL2959234 0.84 NR1H2 (0.47) NR1H2NR1H3RXRAPTGDR2
SCHEMBL2961945 0.84 NR1H2 (0.47) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4013652 0.78 NR1H2 (0.95) NR1H2NR1H3RXRA
SCHEMBL4011934 0.77 NR1H2 (0.83) NR1H2NR1H3RXRA
SCHEMBL4012168 0.77 NR1H2 (1.00) NR1H2NR1H3RXRA
SCHEMBL2958727 0.76 PTGDR2 (0.48) NR1H2NR1H3RXRAPTGDR2
SCHEMBL4012032 0.76 NR1H2 (0.85) NR1H2NR1H3RXRA

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 NR1H2 570/4885NR1H3 680/4885RXRA 4223/4885
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 143/4885RXRA 714/4885

“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.