SCHEMBL753831

SCHEMBL753831

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 14/20 0.41
PTGDR Q13258 11/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
TBXA2R P21731 5/20 0.40
SIGMAR1 Q99720 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.36
DRD2 P14416 1/20 0.36
GABRA1 P14867 1/20 0.36
ADRA1D P25100 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TAS2R14 Q9NYV8 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
SCHEMBL750631 0.88 SMN1; SMN2 (0.41) PTGDR2PTGDRKDM4EMEN1ALDH1A1
SCHEMBL702825 0.87 PTGDR2 (0.33) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL702826 0.87 PTGDR2 (0.33) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL702905 0.85 PTGDR2 (0.32) PTGDR2PTGDRHTR2AHTR2CCYP2C9
SCHEMBL702904 0.85 PTGDR2 (0.32) PTGDR2PTGDRHTR2AHTR2CCYP2C9
SCHEMBL701281 0.84 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RHTR2AHTR2C
SCHEMBL701282 0.84 L3MBTL1 (0.39) PTGDR2PTGDRTBXA2RHTR2AHTR2C
SCHEMBL733013 0.84 PTGDR2 (0.33) PTGDR2PTGDRTBXA2R
SCHEMBL733798 0.84 F10 (0.38) PTGDR2PTGDRALDH1A1KMT2ATBXA2R
SCHEMBL731643 0.84 F10 (0.36) PTGDR2PTGDRALDH1A1KMT2ATBXA2R

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 8 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-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
US-20100016368-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 (4 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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885PTGDR 11/4885KDM4E 3790/4885
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids HRH2, HRH1, HRH4 PTGDR2 16/4885PTGDR 12/4885KDM4E 3971/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885PTGDR 11/4885KDM4E 3790/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 16/4885PTGDR 12/4885KDM4E 3971/4885

“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.