SCHEMBL702905

SCHEMBL702905

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

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.32
F10 P00742 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
PTGDR Q13258 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
TNF P01375 1/20 0.31
POLB P06746 1/20 0.31
NR2F2 P24468 1/20 0.31
NOD1 Q9Y239 1/20 0.31
CYP2C9 P11712 1/20 0.31
GALR3 O60755 1/20 0.31

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
SCHEMBL702904 1.00 PTGDR2 (0.32) PTGDR2F10NPC1RAB9APTGDR
SCHEMBL701281 0.92 L3MBTL1 (0.39) PTGDR2PTGDRHTR2AHTR2CCYP2C9
SCHEMBL701282 0.92 L3MBTL1 (0.39) PTGDR2PTGDRHTR2AHTR2CCYP2C9
SCHEMBL700547 0.90 L3MBTL1 (0.36) PTGDR2PTGDRCYP2C9
SCHEMBL700546 0.90 L3MBTL1 (0.36) PTGDR2PTGDRCYP2C9
SCHEMBL704151 0.88 CYP2C9 (0.35) TNFPOLBNR2F2NOD1CYP2C9
SCHEMBL704152 0.88 CYP2C9 (0.35) TNFPOLBNR2F2NOD1CYP2C9
SCHEMBL702845 0.87 PTGDR2 (0.34) PTGDR2PTGDRCYP2C9
SCHEMBL702847 0.87 PTGDR2 (0.34) PTGDR2PTGDRCYP2C9
SCHEMBL702053 0.87 PTGDR2 (0.35) PTGDR2PTGDRCYP2C9

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 1190/4885NPC1 3704/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885F10 1190/4885NPC1 3704/4885

“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.