SCHEMBL732765

SCHEMBL732765

CN(C1CCCc2c1cnn2CCC(=O)O)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 8/20 0.35
TBXA2R P21731 6/20 0.35
PTGDR Q13258 6/20 0.35
F10 P00742 2/20 0.35
PSEN1 P49768 5/20 0.34
PSEN2 P49810 5/20 0.34
APH1B Q8WW43 5/20 0.34
NCSTN Q92542 5/20 0.34
APH1A Q96BI3 5/20 0.34
PSENEN Q9NZ42 5/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMO O15229 2/20 0.33
NAMPT P43490 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
SCHEMBL732764 1.00 PTGDR2 (0.35) PTGDR2TBXA2RPTGDRF10PSEN1
SCHEMBL732142 0.93 F10 (0.38) PTGDR2TBXA2RPTGDRF10PSEN1
SCHEMBL731845 0.93 PTGDR2 (0.35) PTGDR2TBXA2RPTGDRHTR2AHTR2C
SCHEMBL731846 0.93 PTGDR2 (0.35) PTGDR2TBXA2RPTGDRHTR2AHTR2C
SCHEMBL734495 0.93 PTGDR2 (0.41) PTGDR2TBXA2RPTGDR
SCHEMBL734496 0.93 PTGDR2 (0.41) PTGDR2TBXA2RPTGDR
SCHEMBL732819 0.92 CETP (0.35) PTGDR2TBXA2RPTGDRF10PSEN1
SCHEMBL732820 0.92 CETP (0.35) PTGDR2TBXA2RPTGDRF10PSEN1
SCHEMBL732135 0.91 PTGDR2 (0.37) PTGDR2TBXA2RPTGDRHTR2AHTR2C
SCHEMBL732134 0.91 PTGDR2 (0.37) PTGDR2TBXA2RPTGDRHTR2AHTR2C

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
CN-102099341-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN claimed
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
CN-102099341-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
CN-102099341-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN 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-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
CN-102099341-A Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2011-06-15 CN 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 PTGDR2 16/4885TBXA2R 6/4885PTGDR 12/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 16/4885TBXA2R 6/4885PTGDR 12/4885

“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.