SCHEMBL752703

SCHEMBL752703

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 2/20 0.37
TRPM2 O94759 1/20 0.36
RORC P51449 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
IDH2 P48735 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
BCL2A1 Q16548 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL752980 0.91 ALDH1A1 (0.44) ALDH1A1HPGDTP53SMN1; SMN2HTT
SCHEMBL750700 0.90 ALDH1A1 (0.48) ALDH1A1HPGDTP53SMN1; SMN2HTT
SCHEMBL733697 0.90 ALDH1A1 (0.40) ALDH1A1HPGDTP53SMN1; SMN2HTT
SCHEMBL703354 0.88 ALDH1A1 (0.45) ALDH1A1HPGDTP53SMN1; SMN2HTT
SCHEMBL13513398 0.88 ALDH1A1 (0.45) ALDH1A1HPGDTP53SMN1; SMN2HTT
SCHEMBL701635 0.87 ALDH1A1 (0.44) ALDH1A1HPGDTP53SMN1; SMN2TRPM2
SCHEMBL753638 0.87 ALDH1A1 (0.49) ALDH1A1HPGDTP53SMN1; SMN2HTT
SCHEMBL750701 0.86 TP53 (0.43) ALDH1A1HPGDTP53SMN1; SMN2TRPM2
SCHEMBL751366 0.85 ALDH1A1 (0.49) ALDH1A1HPGDTP53SMN1; SMN2HTT
SCHEMBL731789 0.84 GRIN1 (0.43) ALDH1A1HPGDTP53TRPM2NPSR1

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 9 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-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 507/4885HPGD 126/4885TP53 4252/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 507/4885HPGD 126/4885TP53 4252/4885

“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.