SCHEMBL701307

SCHEMBL701307

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
FKBP1A P62942 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.39
MAPT P10636 1/20 0.39
PPARG P37231 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
IRAK1 P51617 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38
HTT P42858 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37

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
SCHEMBL751409 0.92 ALDH1A1 (0.43) ALDH1A1TP53HPGDFKBP1AMEN1
SCHEMBL702758 0.89 ALDH1A1 (0.46) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL14864214 0.88 ALDH1A1 (0.49) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL704140 0.88 ALDH1A1 (0.48) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL701668 0.87 ALDH1A1 (0.48) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL751366 0.86 ALDH1A1 (0.49) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL4572431 0.86 ALDH1A1 (0.47) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL2625181 0.86 ALDH1A1 (0.47) ALDH1A1TP53HPGDMEN1KMT2A
SCHEMBL27835841 0.86 ALDH1A1 (0.41) ALDH1A1FKBP1AMEN1KMT2AHTT
SCHEMBL700504 0.85 ALDH1A1 (0.46) ALDH1A1TP53HPGDHTTKDM4E

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
JP-2011528002-A 2011-11-10 JP claimed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 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
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-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-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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 (3 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 507/4885TP53 4252/4885HPGD 126/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885TP53 4276/4885HPGD 208/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 507/4885TP53 4252/4885HPGD 126/4885

“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.