SCHEMBL734259

SCHEMBL734259

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
GRIN1 Q05586 6/20 0.40
GRIN2B Q13224 6/20 0.40
DHODH Q02127 1/20 0.38
CYP1A2 P05177 1/20 0.38
SCN9A Q15858 1/20 0.38
S1PR5 Q9H228 1/20 0.38
IDH2 P48735 1/20 0.37
RORC P51449 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
BDKRB1 P46663 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
F10 P00742 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL734257 1.00 ADAMTS7 (0.41) ADAMTS7ADAMTS5GRIN1GRIN2BDHODH
SCHEMBL734424 0.93 CYP1A2 (0.38) DHODHCYP1A2SCN9AF10
SCHEMBL734358 0.92 ADAMTS7 (0.40) ADAMTS7ADAMTS5DHODHCYP1A2SCN9A
SCHEMBL734356 0.92 ADAMTS7 (0.40) ADAMTS7ADAMTS5DHODHCYP1A2SCN9A
SCHEMBL733935 0.89 DHODH (0.39) DHODHCYP1A2IDH2RORCPTGDR2
SCHEMBL731791 0.89 GRIN1 (0.43) ADAMTS7ADAMTS5GRIN1GRIN2BDHODH
SCHEMBL731789 0.89 GRIN1 (0.43) ADAMTS7ADAMTS5GRIN1GRIN2BDHODH
SCHEMBL731817 0.89 CYP1A2 (0.47) DHODHCYP1A2PTGDR2LMNATP53
SCHEMBL731815 0.89 CYP1A2 (0.47) DHODHCYP1A2PTGDR2LMNATP53
SCHEMBL734035 0.88 CYP1A2 (0.41) CYP1A2LMNATP53KDM2BF10

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 12 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
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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-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

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 ADAMTS7 4048/4885ADAMTS5 3557/4885GRIN1 708/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ADAMTS7 4048/4885ADAMTS5 3557/4885GRIN1 708/4885

“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.