SCHEMBL732616

SCHEMBL732616

Cc1ccc(Cl)c(Oc2ccc(S(=O)(=O)N(C)[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
F10 P00742 2/20 0.35
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
RUNX1 Q01196 1/20 0.33
ATM Q13315 1/20 0.33
CBFB Q13951 1/20 0.33
RCE1 Q9Y256 1/20 0.33
KMT2A Q03164 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32
PTGDR Q13258 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
SCHEMBL732617 1.00 GAA (0.35) GAAF10KDM4EMAPK1TDP1
SCHEMBL734249 0.95 POLB (0.36) GAAF10KDM4EMAPK1ALDH1A1
SCHEMBL734250 0.95 POLB (0.36) GAAF10KDM4EMAPK1ALDH1A1
SCHEMBL733318 0.92 F10 (0.37) GAAF10KDM4EMAPK1ALDH1A1
SCHEMBL733319 0.92 F10 (0.37) GAAF10KDM4EMAPK1ALDH1A1
SCHEMBL731644 0.92 F10 (0.36) GAAF10MAPK1ALDH1A1HPGD
SCHEMBL731643 0.92 F10 (0.36) GAAF10MAPK1ALDH1A1HPGD
SCHEMBL734559 0.92 HCRTR1 (0.36) GAAF10KDM4EMAPK1ALDH1A1
SCHEMBL734558 0.92 HCRTR1 (0.36) GAAF10KDM4EMAPK1ALDH1A1
SCHEMBL732531 0.91 F10 (0.41) GAAF10MAPK1ALDH1A1KMT2A

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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 GAA 1669/4885F10 736/4885KDM4E 3971/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GAA 1669/4885F10 736/4885KDM4E 3971/4885

“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.