SCHEMBL732409

SCHEMBL732409

COC(=O)CCn1ncc2c1CCC[C@H]2NS(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS7 Q9UKP4 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
DHODH Q02127 2/20 0.36
BTK Q06187 4/20 0.36
SCN9A Q15858 3/20 0.36
GRIA2 P42262 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KCNA5 P22460 1/20 0.35
ELANE P08246 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
KDM2B Q8NHM5 1/20 0.35

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
SCHEMBL732411 1.00 ADAMTS7 (0.37) ADAMTS7ADAMTS5PLAUPLATDHODH
SCHEMBL734358 0.92 ADAMTS7 (0.40) ADAMTS7ADAMTS5DHODHBTKSCN9A
SCHEMBL734356 0.92 ADAMTS7 (0.40) ADAMTS7ADAMTS5DHODHBTKSCN9A
SCHEMBL734124 0.89 CYP1A2 (0.43) KCNA5LMNATP53
SCHEMBL731789 0.87 GRIN1 (0.43) ADAMTS7ADAMTS5DHODHBTKSCN9A
SCHEMBL731791 0.87 GRIN1 (0.43) ADAMTS7ADAMTS5DHODHBTKSCN9A
SCHEMBL734259 0.87 ADAMTS7 (0.41) ADAMTS7ADAMTS5DHODHSCN9AELANE
SCHEMBL734257 0.87 ADAMTS7 (0.41) ADAMTS7ADAMTS5DHODHSCN9AELANE
SCHEMBL705343 0.86 STS (0.36) DHODHBTK
SCHEMBL705344 0.86 STS (0.36) DHODHBTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADAMTS7 4048/4885ADAMTS5 3557/4885PLAU 3868/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ADAMTS7 4048/4885ADAMTS5 3557/4885PLAU 3868/4885

“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.