SCHEMBL703348

SCHEMBL703348

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
F10 P00742 5/20 0.36
SFRP1 Q8N474 3/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.35
WNT3 P56703 2/20 0.34
DHODH Q02127 2/20 0.33
TSHR P16473 1/20 0.33

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 0.89 ALDH1A1 (0.41) ALDH1A1L3MBTL1KMT2AMEN1F10
SCHEMBL703354 0.89 ALDH1A1 (0.45) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL700235 0.89 L3MBTL1 (0.39) ALDH1A1L3MBTL1KMT2AMEN1F10
SCHEMBL703950 0.87 PDE4A (0.40) ALDH1A1L3MBTL1KMT2AMEN1HPGD
SCHEMBL733697 0.87 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2AMEN1SFRP1
SCHEMBL702311 0.87 ALDH1A1 (0.44) ALDH1A1L3MBTL1KMT2AMEN1F10
SCHEMBL27835818 0.85 HTT (0.36) ALDH1A1L3MBTL1KMT2AMEN1CYP1A2
SCHEMBL700322 0.85 DHODH (0.35) ALDH1A1L3MBTL1F10SFRP1CYP1A2
SCHEMBL702788 0.85 DHODH (0.35) ALDH1A1L3MBTL1F10SFRP1CYP1A2
SCHEMBL703361 0.84 DHODH (0.38) ALDH1A1L3MBTL1KMT2AMEN1CYP1A2

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 26 patents — showing the first 20. 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
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP 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
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 317/4885L3MBTL1 4710/4885KMT2A 1942/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALDH1A1 317/4885L3MBTL1 4710/4885KMT2A 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.