SCHEMBL734132

SCHEMBL734132

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(Oc2cc(F)ccc2F)c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.40
POLB P06746 2/20 0.33
S1PR1 P21453 1/20 0.33
F10 P00742 2/20 0.33
LMNA P02545 1/20 0.33
TBXA2R P21731 3/20 0.32
PTGDR Q13258 3/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31

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
SCHEMBL734131 1.00 SCN9A (0.40) SCN9APOLBS1PR1F10LMNA
SCHEMBL734538 0.96 SCN9A (0.39) SCN9APOLBF10LMNATBXA2R
SCHEMBL734537 0.96 SCN9A (0.39) SCN9APOLBF10LMNATBXA2R
SCHEMBL732111 0.95 SCN9A (0.42) SCN9APOLBS1PR1F10LMNA
SCHEMBL732110 0.95 SCN9A (0.42) SCN9APOLBS1PR1F10LMNA
SCHEMBL732906 0.94 SCN9A (0.38) SCN9APOLBF10LMNATBXA2R
SCHEMBL732907 0.94 SCN9A (0.38) SCN9APOLBF10LMNATBXA2R
SCHEMBL732718 0.94 SCN9A (0.37) SCN9APOLBALDH1A1MAPK1HCRTR1
SCHEMBL732719 0.94 SCN9A (0.37) SCN9APOLBALDH1A1MAPK1HCRTR1
SCHEMBL732835 0.94 SCN9A (0.38) SCN9APOLBS1PR1F10ALDH1A1

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 2017/4885POLB 3887/4885S1PR1 1481/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885POLB 3887/4885S1PR1 1481/4885

“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.