SCHEMBL733337

SCHEMBL733337

CCOC(=O)Cn1ncc2c1C=CCC2N(NS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TSHR P16473 2/20 0.34
USP2 O75604 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90B1 P14625 1/20 0.33
TRAP1 Q12931 1/20 0.33
GAA P10253 1/20 0.32
MAPK1 P28482 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
SCHEMBL732389 0.89 KEAP1 (0.32)
SCHEMBL1569210 0.81 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1CYP2C9
SCHEMBL751366 0.70 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL750631 0.69 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KMT2AMEN1CYP2C19
SCHEMBL733013 0.69 PTGDR2 (0.33) TSHR
SCHEMBL753079 0.66 ALDH1A1 (0.47) ALDH1A1LMNAHTTGAA
SCHEMBL753638 0.66 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1TSHR
SCHEMBL735288 0.65 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL737839 0.64 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1HTT
SCHEMBL14864214 0.64 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA

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 7 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
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-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
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 SMN1; SMN2 4457/4885ALDH1A1 507/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SMN1; SMN2 4457/4885ALDH1A1 507/4885KMT2A 2156/4885

“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.