SCHEMBL752980

SCHEMBL752980

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TRPM2 O94759 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
ADAM17 P78536 1/20 0.36
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
SCN9A Q15858 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP11B2 P19099 3/20 0.35
POLB P06746 1/20 0.35
HTT P42858 2/20 0.34
KDM2B Q8NHM5 1/20 0.34

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
SCHEMBL752703 0.91 ALDH1A1 (0.46) ALDH1A1TP53HPGDTRPM2SMN1; SMN2
SCHEMBL732086 0.89 CYP1A2 (0.41) ALDH1A1HPGDCYP1A2MMP1MMP2
SCHEMBL752973 0.88 ALDH1A1 (0.45) ALDH1A1TP53HPGDSMN1; SMN2CYP1A2
SCHEMBL753638 0.88 ALDH1A1 (0.49) ALDH1A1TP53HPGDSMN1; SMN2CYP1A2
SCHEMBL751366 0.86 ALDH1A1 (0.49) ALDH1A1TP53HPGDSMN1; SMN2CYP1A2
SCHEMBL753036 0.86 TRPM2 (0.44) ALDH1A1TP53HPGDTRPM2PTGS2
SCHEMBL731789 0.86 GRIN1 (0.43) ALDH1A1TP53HPGDTRPM2PTGS2
SCHEMBL731791 0.86 GRIN1 (0.43) ALDH1A1TP53HPGDTRPM2PTGS2
SCHEMBL752695 0.86 ALDH1A1 (0.45) ALDH1A1TP53HPGDTRPM2PTGS2
SCHEMBL13513398 0.85 ALDH1A1 (0.45) ALDH1A1TP53HPGDTRPM2SMN1; SMN2

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 10 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
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 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.