SCHEMBL732808

SCHEMBL732808

CCOC(=O)Cn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1ccc(Oc2ccccc2C)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 2/20 0.34
SCN9A Q15858 1/20 0.34
MAPK1 P28482 3/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
F10 P00742 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL732809 1.00 ALDH1A1 (0.35) ALDH1A1KDM4EPOLBSCN9AMAPK1
SCHEMBL734079 0.96 POLB (0.37) ALDH1A1KDM4EPOLBSCN9AMAPK1
SCHEMBL734080 0.96 POLB (0.37) ALDH1A1KDM4EPOLBSCN9AMAPK1
SCHEMBL732835 0.94 SCN9A (0.38) ALDH1A1KDM4EPOLBSCN9AMAPT
SCHEMBL732834 0.94 SCN9A (0.38) ALDH1A1KDM4EPOLBSCN9AMAPT
SCHEMBL732906 0.93 SCN9A (0.38) ALDH1A1POLBSCN9AMAPK1MAPT
SCHEMBL732907 0.93 SCN9A (0.38) ALDH1A1POLBSCN9AMAPK1MAPT
SCHEMBL731897 0.93 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBMAPK1MAPT
SCHEMBL734538 0.93 SCN9A (0.39) ALDH1A1POLBSCN9AMAPK1MAPT
SCHEMBL731896 0.93 ALDH1A1 (0.36) ALDH1A1KDM4EPOLBMAPK1MAPT

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 13 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
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
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-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US 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-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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 ALDH1A1 507/4885KDM4E 3971/4885POLB 3887/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 507/4885KDM4E 3971/4885POLB 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.