SCHEMBL734124

SCHEMBL734124

COC(=O)CCn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
TBXA2R P21731 1/20 0.43
PTGDR Q13258 1/20 0.43
KCNA5 P22460 2/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.37
TP53 P04637 1/20 0.37
CHEK2 O96017 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL2133645 0.92 ALDH1A1 (0.44) CYP1A2TBXA2RPTGDRKCNA5ALDH1A1
SCHEMBL732584 0.91 CYP1A2 (0.46) CYP1A2TBXA2RPTGDRKCNA5ALDH1A1
SCHEMBL732692 0.91 CYP1A2 (0.46) CYP1A2TBXA2RPTGDRKCNA5ALDH1A1
SCHEMBL732411 0.89 ADAMTS7 (0.37) KCNA5LMNATP53
SCHEMBL732409 0.89 ADAMTS7 (0.37) KCNA5LMNATP53
SCHEMBL731815 0.85 CYP1A2 (0.47) CYP1A2TBXA2RPTGDRKCNA5ALDH1A1
SCHEMBL731817 0.85 CYP1A2 (0.47) CYP1A2TBXA2RPTGDRKCNA5ALDH1A1
SCHEMBL753638 0.85 ALDH1A1 (0.49) CYP1A2KCNA5ALDH1A1L3MBTL1MEN1
SCHEMBL731756 0.83 PDE4A (0.38) ALDH1A1L3MBTL1MEN1KMT2AHTT
SCHEMBL731757 0.83 PDE4A (0.38) ALDH1A1L3MBTL1MEN1KMT2AHTT

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 15 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
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
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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 CYP1A2 409/4885TBXA2R 6/4885PTGDR 12/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 CYP1A2 409/4885TBXA2R 6/4885PTGDR 12/4885

“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.