SCHEMBL702826

SCHEMBL702826

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cc(Br)cc(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.33
F10 P00742 2/20 0.33
PTGDR Q13258 6/20 0.32
CYP2C9 P11712 2/20 0.32
TBXA2R P21731 3/20 0.32
KCNH2 Q12809 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
SCHEMBL702825 1.00 PTGDR2 (0.33) PTGDR2F10PTGDRCYP2C9TBXA2R
SCHEMBL702266 0.91 PTGDR2 (0.34) PTGDR2PTGDRCYP2C9TBXA2R
SCHEMBL702265 0.91 PTGDR2 (0.34) PTGDR2PTGDRCYP2C9TBXA2R
SCHEMBL701693 0.88 ALDH1A1 (0.33)
SCHEMBL701692 0.88 ALDH1A1 (0.33)
SCHEMBL753831 0.87 PTGDR2 (0.41) PTGDR2PTGDRCYP2C9TBXA2R
SCHEMBL702905 0.87 PTGDR2 (0.32) PTGDR2F10PTGDRCYP2C9
SCHEMBL702904 0.87 PTGDR2 (0.32) PTGDR2F10PTGDRCYP2C9
SCHEMBL753719 0.86 PTGDR2 (0.32) PTGDR2F10PTGDRCYP2C9
SCHEMBL701281 0.86 L3MBTL1 (0.39) PTGDR2PTGDRCYP2C9TBXA2R

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-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
US-20100016368-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885F10 1190/4885PTGDR 11/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885F10 1190/4885PTGDR 11/4885

“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.