SCHEMBL2958727

SCHEMBL2958727

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.48
PTGS2 P35354 3/20 0.44
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
FLT3 P36888 1/20 0.39
MAPK14 Q16539 1/20 0.39
COMT P21964 2/20 0.38
EIF2AK2 P19525 1/20 0.38
CSF1R P07333 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL2959357 0.87 MAP3K14 (0.48) PTGDR2PTGS2NR1H2NR1H3HTR2A
SCHEMBL2955003 0.85 MAPK14 (0.47) PTGDR2PTGS2HTR2AHTR2CHTR7
SCHEMBL2961347 0.83 PTGDR2 (0.44) PTGDR2NR1H2NR1H3HTR2AHTR2C
SCHEMBL2961945 0.82 NR1H2 (0.47) PTGDR2PTGS2NR1H2NR1H3HTR2A
SCHEMBL2958277 0.77 NR1H2 (0.44) PTGDR2PTGS2NR1H2NR1H3RXRA
SCHEMBL2961361 0.76 NR1H2 (0.62) PTGDR2NR1H2NR1H3RXRA
SCHEMBL317159 0.76 NR1H2 (0.55) PTGDR2PTGS2NR1H2NR1H3COMT
SCHEMBL317746 0.75 PTGDR2 (0.53) PTGDR2PTGS2GSK3AGSK3BFLT3
SCHEMBL317919 0.75 PTGDR2 (0.84) PTGDR2PTGS2
SCHEMBL2951882 0.73 KIF11 (0.49) PTGDR2PTGS2HTR2AHTR2CHTR7

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 2 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

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-20100210685-A1 Novel Substituted Indoles IDO1, IDO2, TPH1 PTGDR2 429/4885PTGS2 559/4885NR1H2 570/4885

“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.