SCHEMBL734067

SCHEMBL734067

O=C(O)Cn1ncc2c1CCCC2NS(=O)(=O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.41
BCL9 O00512 1/20 0.39
CTNNB1 P35222 1/20 0.39
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
DHODH Q02127 6/20 0.38
MME P08473 1/20 0.38
EGLN1 Q9GZT9 1/20 0.37
KCNA5 P22460 1/20 0.37
SLC6A7 Q99884 1/20 0.37
CYP1A2 P05177 1/20 0.37
SLC13A5 Q86YT5 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
MCHR1 Q99705 1/20 0.36
PLAT P00750 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 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
SCHEMBL752711 0.90 ALDH1A1 (0.42) RORCBCL9CTNNB1F2F10
SCHEMBL734545 0.90 F2 (0.48) F2F10KCNA5CYP1A2
SCHEMBL733774 0.88 MMP2 (0.42) F2F10KCNA5CYP1A2GRIN1
SCHEMBL731906 0.88 F10 (0.40) F2F10KCNA5CYP1A2
SCHEMBL734259 0.88 ADAMTS7 (0.41) RORCF10DHODHCYP1A2GRIN1
SCHEMBL734257 0.88 ADAMTS7 (0.41) RORCF10DHODHCYP1A2GRIN1
SCHEMBL731817 0.87 CYP1A2 (0.47) F10DHODHKCNA5CYP1A2
SCHEMBL731815 0.87 CYP1A2 (0.47) F10DHODHKCNA5CYP1A2
SCHEMBL734035 0.86 CYP1A2 (0.41) F2F10KCNA5CYP1A2
SCHEMBL733688 0.85 CYP1A2 (0.40) F2F10CYP1A2

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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US claimed
JP-2011528004-A 2011-11-10 JP claimed
EP-2307383-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
WO-2010006944-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO claimed
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-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-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-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
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 RORC 376/4885BCL9 4248/4885CTNNB1 4040/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 RORC 376/4885BCL9 4248/4885CTNNB1 4040/4885

“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.