SCHEMBL753079

SCHEMBL753079

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2)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
KEAP1 Q14145 4/20 0.41
NFE2L2 Q16236 4/20 0.41
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
EGFR P00533 1/20 0.39
FGFR1 P11362 1/20 0.39
KDR P35968 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNA5 P22460 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37
DHODH Q02127 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
SCHEMBL702339 0.93 ALDH1A1 (0.46) ALDH1A1TP53HPGDPKMLMNA
SCHEMBL751366 0.92 ALDH1A1 (0.49) ALDH1A1TP53HPGDLMNAL3MBTL1
SCHEMBL4572431 0.91 ALDH1A1 (0.47) ALDH1A1TP53HPGDLMNAL3MBTL1
SCHEMBL734084 0.90 ALDH1A1 (0.46) ALDH1A1TP53HPGDEGFRFGFR1
SCHEMBL700504 0.90 ALDH1A1 (0.46) ALDH1A1TP53HPGDPKMLMNA
SCHEMBL733011 0.89 KEAP1 (0.44) ALDH1A1HPGDKEAP1NFE2L2LMNA
SCHEMBL14864214 0.88 ALDH1A1 (0.49) ALDH1A1TP53HPGDPKMLMNA
SCHEMBL735288 0.88 ALDH1A1 (0.48) ALDH1A1TP53HPGDLMNAL3MBTL1
SCHEMBL704140 0.88 ALDH1A1 (0.48) ALDH1A1TP53HPGDLMNAL3MBTL1
SCHEMBL701668 0.87 ALDH1A1 (0.48) ALDH1A1TP53HPGDLMNAL3MBTL1

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 12 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
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-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
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP 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
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 ALDH1A1 507/4885TP53 4252/4885HPGD 126/4885
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.