SCHEMBL700235

SCHEMBL700235

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
DHODH Q02127 2/20 0.38
F10 P00742 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RAB9A P51151 3/20 0.37
TNF P01375 2/20 0.37
NOD1 Q9Y239 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
STAT3 P40763 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 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
SCHEMBL10166779 0.92 ALDH1A1 (0.41) L3MBTL1ALDH1A1KMT2AMEN1F10
SCHEMBL702311 0.89 ALDH1A1 (0.44) L3MBTL1ALDH1A1KMT2AMEN1F10
SCHEMBL703348 0.89 ALDH1A1 (0.38) L3MBTL1ALDH1A1KMT2AMEN1DHODH
SCHEMBL702899 0.88 ALDH1A1 (0.46) L3MBTL1ALDH1A1KMT2ADHODHHPGD
SCHEMBL733876 0.87 TNF (0.42) L3MBTL1ALDH1A1KMT2AMEN1DHODH
SCHEMBL27816235 0.85 HTT (0.37) L3MBTL1ALDH1A1KMT2AMEN1DHODH
SCHEMBL733809 0.84 PTGDR2 (0.42) L3MBTL1ALDH1A1DHODHCYP1A2
SCHEMBL751192 0.83 CYP1A2 (0.48) L3MBTL1ALDH1A1KMT2AMEN1DHODH
SCHEMBL752764 0.83 CYP1A2 (0.36) L3MBTL1ALDH1A1KMT2AMEN1DHODH
SCHEMBL733257 0.82 CYP11B1 (0.41) L3MBTL1ALDH1A1DHODHF10CYP1A2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099342-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN claimed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
JP-2011528002-A 2011-11-10 JP claimed
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN 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
CN-102099342-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN 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-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
CN-102099342-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN 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
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 L3MBTL1 4710/4885ALDH1A1 317/4885KMT2A 1942/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 L3MBTL1 4710/4885ALDH1A1 317/4885KMT2A 1942/4885

“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.