SCHEMBL732111

SCHEMBL732111

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.42
LMNA P02545 1/20 0.36
POLB P06746 2/20 0.33
F10 P00742 2/20 0.33
MAPK8 P45983 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
S1PR1 P21453 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL732110 1.00 SCN9A (0.42) SCN9ALMNAPOLBF10MAPK8
SCHEMBL734537 0.96 SCN9A (0.39) SCN9ALMNAPOLBF10TBXA2R
SCHEMBL734538 0.96 SCN9A (0.39) SCN9ALMNAPOLBF10TBXA2R
SCHEMBL734132 0.95 SCN9A (0.40) SCN9ALMNAPOLBF10TBXA2R
SCHEMBL734131 0.95 SCN9A (0.40) SCN9ALMNAPOLBF10TBXA2R
SCHEMBL732906 0.95 SCN9A (0.38) SCN9ALMNAPOLBF10TBXA2R
SCHEMBL732907 0.95 SCN9A (0.38) SCN9ALMNAPOLBF10TBXA2R
SCHEMBL734161 0.94 SCN9A (0.38) SCN9APOLBF10TBXA2RPTGDR
SCHEMBL734160 0.94 SCN9A (0.38) SCN9APOLBF10TBXA2RPTGDR
SCHEMBL732834 0.94 SCN9A (0.38) SCN9APOLBF10ALDH1A1KDM4E

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-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 SCN9A 2017/4885LMNA 3455/4885POLB 3887/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885LMNA 3455/4885POLB 3887/4885

“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.