SCHEMBL704140

SCHEMBL704140

CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
TP53 P04637 1/20 0.48
HSP90AA1 P07900 2/20 0.40
DHODH Q02127 1/20 0.39
HSP90B1 P14625 1/20 0.38
TRAP1 Q12931 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 3/20 0.37
TNF P01375 2/20 0.37
NOD1 Q9Y239 2/20 0.37
GALR3 O60755 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL701857 0.93 ALDH1A1 (0.45) ALDH1A1HPGDTP53HSP90AA1DHODH
SCHEMBL14864214 0.92 ALDH1A1 (0.49) ALDH1A1HPGDTP53DHODHHTT
SCHEMBL750756 0.92 ALDH1A1 (0.45) ALDH1A1HPGDTP53HSP90AA1DHODH
SCHEMBL701668 0.91 ALDH1A1 (0.48) ALDH1A1HPGDTP53DHODHHTT
SCHEMBL751366 0.90 ALDH1A1 (0.49) ALDH1A1HPGDTP53DHODHHTT
SCHEMBL702339 0.90 ALDH1A1 (0.46) ALDH1A1HPGDTP53HSP90AA1DHODH
SCHEMBL4572431 0.90 ALDH1A1 (0.47) ALDH1A1HPGDTP53DHODHHTT
SCHEMBL735288 0.88 ALDH1A1 (0.48) ALDH1A1HPGDTP53DHODHHTT
SCHEMBL700504 0.88 ALDH1A1 (0.46) ALDH1A1HPGDTP53DHODHHTT
SCHEMBL704658 0.88 ALDH1A1 (0.40) ALDH1A1HPGDTP53DHODHHTT

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
JP-2011528002-A 2011-11-10 JP claimed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US disclosed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO disclosed
WO-2010006939-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885HPGD 208/4885TP53 4276/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885HPGD 208/4885TP53 4276/4885

“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.