SCHEMBL750756

SCHEMBL750756

CCOC(=O)Cn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
HSP90AA1 P07900 5/20 0.42
NR1H2 P55055 2/20 0.40
HSP90B1 P14625 2/20 0.40
TRAP1 Q12931 2/20 0.40
DHODH Q02127 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
GALR3 O60755 1/20 0.36
RAB9A P51151 1/20 0.36
KCNA5 P22460 1/20 0.36
POLB P06746 1/20 0.35
PTGS2 P35354 1/20 0.35
F10 P00742 1/20 0.35
HTT P42858 1/20 0.35
CYP1A2 P05177 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
SCHEMBL704140 0.92 ALDH1A1 (0.48) ALDH1A1TP53HPGDHSP90AA1HSP90B1
SCHEMBL753010 0.91 ALDH1A1 (0.45) ALDH1A1TP53HPGDDHODHSMN1; SMN2
SCHEMBL753638 0.91 ALDH1A1 (0.49) ALDH1A1TP53HPGDSMN1; SMN2NPC1
SCHEMBL751712 0.91 ALDH1A1 (0.45) ALDH1A1TP53HPGDDHODHSMN1; SMN2
SCHEMBL752685 0.90 ALDH1A1 (0.44) ALDH1A1TP53HPGDHSP90AA1DHODH
SCHEMBL753892 0.90 ALDH1A1 (0.44) ALDH1A1TP53HPGDDHODHKCNA5
SCHEMBL751710 0.90 KCNA5 (0.45) ALDH1A1TP53HPGDDHODHKCNA5
SCHEMBL750755 0.90 ALDH1A1 (0.44) ALDH1A1TP53HPGDDHODHSMN1; SMN2
SCHEMBL751748 0.90 ALDH1A1 (0.46) ALDH1A1TP53HPGDDHODHSMN1; SMN2
SCHEMBL732685 0.90 CYP1A2 (0.39) ALDH1A1TP53HPGDHSP90AA1SMN1; 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 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 507/4885TP53 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.