SCHEMBL734331

SCHEMBL734331

CN([C@@H]1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.41
PTGDR2 Q9Y5Y4 5/20 0.36
TBXA2R P21731 3/20 0.36
PTGDR Q13258 3/20 0.36
PSEN1 P49768 5/20 0.36
PSEN2 P49810 5/20 0.36
APH1B Q8WW43 5/20 0.36
NCSTN Q92542 5/20 0.36
APH1A Q96BI3 5/20 0.36
PSENEN Q9NZ42 5/20 0.36
PTGER3 P43115 1/20 0.35
SCN9A Q15858 4/20 0.35
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL734332 1.00 F10 (0.41) F10PTGDR2TBXA2RPTGDRPSEN1
SCHEMBL732531 0.95 F10 (0.41) F10PTGDR2TBXA2RPTGDRPTGER3
SCHEMBL732530 0.95 F10 (0.41) F10PTGDR2TBXA2RPTGDRPTGER3
SCHEMBL733788 0.94 SCN9A (0.39) F10PTGDR2TBXA2RPTGDRSCN9A
SCHEMBL733787 0.94 SCN9A (0.39) F10PTGDR2TBXA2RPTGDRSCN9A
SCHEMBL734604 0.93 PTGDR2 (0.36) F10PTGDR2TBXA2RPTGDRSCN9A
SCHEMBL734605 0.93 PTGDR2 (0.36) F10PTGDR2TBXA2RPTGDRSCN9A
SCHEMBL734411 0.92 SCN9A (0.37) F10PTGDR2TBXA2RPTGDRSCN9A
SCHEMBL734410 0.92 SCN9A (0.37) F10PTGDR2TBXA2RPTGDRSCN9A
SCHEMBL734418 0.92 PTGDR2 (0.37) F10PTGDR2TBXA2RPTGDRSCN9A

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 16 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
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

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 F10 736/4885PTGDR2 16/4885TBXA2R 6/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885PTGDR2 16/4885TBXA2R 6/4885

“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.