SCHEMBL752973

SCHEMBL752973

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2ccccc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.37
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
POLB P06746 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C1 Q04828 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 2/20 0.35
NLRP3 Q96P20 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KCNA5 P22460 1/20 0.35

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
SCHEMBL752975 0.92 ALDH1A1 (0.46) ALDH1A1HPGDTP53SMN1; SMN2MAPK1
SCHEMBL753638 0.90 ALDH1A1 (0.49) ALDH1A1HPGDTP53SMN1; SMN2CYP1A2
SCHEMBL750699 0.89 ALDH1A1 (0.45) ALDH1A1HPGDTP53SMN1; SMN2CYP1A2
SCHEMBL732263 0.88 CYP1A2 (0.43) ALDH1A1HPGDTP53SMN1; SMN2CYP1A2
SCHEMBL752980 0.88 ALDH1A1 (0.44) ALDH1A1HPGDTP53SMN1; SMN2CYP1A2
SCHEMBL751366 0.88 ALDH1A1 (0.49) ALDH1A1HPGDTP53SMN1; SMN2CYP1A2
SCHEMBL732501 0.88 ALDH1A1 (0.44) ALDH1A1HPGDTP53POLBKMT2A
SCHEMBL732502 0.88 ALDH1A1 (0.44) ALDH1A1HPGDTP53POLBKMT2A
SCHEMBL751712 0.87 ALDH1A1 (0.45) ALDH1A1HPGDTP53SMN1; SMN2CYP1A2
SCHEMBL752695 0.86 ALDH1A1 (0.45) ALDH1A1HPGDTP53CYP1A2POLB

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 507/4885HPGD 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.