SCHEMBL734072

SCHEMBL734072

CCOC(=O)Cn1ncc2c1CCCC2N(C)S(=O)(=O)c1ccc(Oc2ccc(Cl)c(F)c2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.34
POLB P06746 1/20 0.33
F10 P00742 2/20 0.33
PLA2G7 Q13093 1/20 0.33
ALDH1A1 P00352 4/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TBXA2R P21731 1/20 0.31
PTGDR Q13258 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
GAA P10253 1/20 0.31
SOS1 Q07889 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL734071 1.00 SCN9A (0.34) SCN9APOLBF10PLA2G7ALDH1A1
SCHEMBL732199 0.94 SOS1 (0.37) SCN9APOLBF10SOS1
SCHEMBL732200 0.94 SOS1 (0.37) SCN9APOLBF10SOS1
SCHEMBL733072 0.93 SCN9A (0.36) SCN9APOLBF10ALDH1A1MAPT
SCHEMBL733073 0.93 SCN9A (0.36) SCN9APOLBF10ALDH1A1MAPT
SCHEMBL13513346 0.92 POLB (0.34) SCN9APOLBF10ALDH1A1MAPK1
SCHEMBL732123 0.92 POLB (0.34) POLBF10ALDH1A1MAPK1MAPT
SCHEMBL734020 0.92 F10 (0.37) SCN9APOLBF10ALDH1A1MAPK1
SCHEMBL732124 0.92 POLB (0.34) POLBF10ALDH1A1MAPK1MAPT
SCHEMBL734021 0.92 F10 (0.37) SCN9APOLBF10ALDH1A1MAPK1

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 3887/4885F10 736/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SCN9A 2017/4885POLB 3887/4885F10 736/4885

“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.