SCHEMBL733913

SCHEMBL733913

N#Cc1ccc(Oc2ncc(S(=O)(=O)CN[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Br)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
RORC P51449 2/20 0.31
SCN9A Q15858 3/20 0.31
PGR P06401 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL732275 0.91 LTA4H (0.33) SCN9ANOD2NOD1EGLN1
SCHEMBL734121 0.91 PTGDR2 (0.36) NOD2NOD1
SCHEMBL733903 0.90 CYP11B1 (0.33) PPARDPPARARORCSCN9APGR
SCHEMBL733855 0.89 NOD2 (0.31) NOD2NOD1EGLN1
SCHEMBL733921 0.88 SCN9A (0.32) SCN9A
SCHEMBL733793 0.86 FFAR1 (0.34) SCN9AEGLN1
SCHEMBL732984 0.86 SCN9A (0.33) SCN9ANOD2NOD1
SCHEMBL731720 0.83 FFAR1 (0.35) PPARDPPARASCN9APGR
SCHEMBL732625 0.83 KDM4C (0.34) NOD2NOD1
SCHEMBL731686 0.83 RAB9A (0.37) SCN9ANOD1

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 9 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 claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 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-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 PPARD 1213/4885PPARA 1281/4885RORC 376/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PPARD 1213/4885PPARA 1281/4885RORC 376/4885

“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.