SCHEMBL733895

SCHEMBL733895

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cnc(Oc2ccc(Cl)cc2)c(C2(C)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.35
MAPK14 Q16539 1/20 0.34
LTA4H P09960 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
PTGDR2 Q9Y5Y4 3/20 0.31
PTGDR Q13258 2/20 0.31
TBXA2R P21731 1/20 0.31
HTR6 P50406 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
SCHEMBL733894 1.00 F10 (0.35) F10MAPK14LTA4HEGLN1PTGDR2
SCHEMBL732049 0.92 MAPK14 (0.35) F10MAPK14
SCHEMBL732048 0.92 MAPK14 (0.35) F10MAPK14
SCHEMBL732276 0.89 F10 (0.36) F10MAPK14LTA4HEGLN1PTGDR2
SCHEMBL732277 0.89 F10 (0.36) F10MAPK14LTA4HEGLN1PTGDR2
SCHEMBL733433 0.88 MAPK14 (0.35) F10MAPK14LTA4HEGLN1PTGDR2
SCHEMBL733432 0.88 MAPK14 (0.35) F10MAPK14LTA4HEGLN1PTGDR2
SCHEMBL733893 0.84 EGLN1 (0.32) LTA4HEGLN1
SCHEMBL733922 0.82 F10 (0.33) F10
SCHEMBL733923 0.82 F10 (0.33) F10

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 9 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 claimed
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US claimed
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
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
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 F10 736/4885MAPK14 3949/4885LTA4H 17/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885MAPK14 3949/4885LTA4H 17/4885

“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.