SCHEMBL734496

SCHEMBL734496

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 18/20 0.41
PTGDR Q13258 13/20 0.41
TBXA2R P21731 10/20 0.41
CYP2C9 P11712 3/20 0.37
KCNH2 Q12809 1/20 0.37
RORC P51449 1/20 0.36
TRPA1 O75762 1/20 0.36
SLC6A3 Q01959 2/20 0.36
CYP3A4 P08684 1/20 0.36
DRD2 P14416 1/20 0.36
GABRA1 P14867 1/20 0.36
ADRA1D P25100 1/20 0.36

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
SCHEMBL734495 1.00 PTGDR2 (0.41) PTGDR2PTGDRTBXA2RCYP2C9KCNH2
SCHEMBL731845 0.94 PTGDR2 (0.35) PTGDR2PTGDRTBXA2RRORC
SCHEMBL731846 0.94 PTGDR2 (0.35) PTGDR2PTGDRTBXA2RRORC
SCHEMBL732764 0.93 PTGDR2 (0.35) PTGDR2PTGDRTBXA2R
SCHEMBL732765 0.93 PTGDR2 (0.35) PTGDR2PTGDRTBXA2R
SCHEMBL733221 0.92 PTGDR2 (0.37) PTGDR2PTGDRTBXA2RCYP2C9KCNH2
SCHEMBL732135 0.92 PTGDR2 (0.37) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL733220 0.92 PTGDR2 (0.37) PTGDR2PTGDRTBXA2RCYP2C9KCNH2
SCHEMBL732134 0.92 PTGDR2 (0.37) PTGDR2PTGDRTBXA2RCYP2C9CYP3A4
SCHEMBL702759 0.90 L3MBTL1 (0.38) PTGDR2PTGDRTBXA2RCYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102099341-B Aminotetrahydroindazoloacetic acids HOFFMANN LA ROCHE 2013-07-10 CN 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 16/4885PTGDR 12/4885TBXA2R 6/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 16/4885PTGDR 12/4885TBXA2R 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.