SCHEMBL733310

SCHEMBL733310

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2c(F)cccc2F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
F10 P00742 2/20 0.34
PTGDR2 Q9Y5Y4 11/20 0.34
PTGDR Q13258 9/20 0.34
TBXA2R P21731 6/20 0.34
CYP2C9 P11712 2/20 0.34
MAPK1 P28482 1/20 0.33
GAA P10253 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL733309 1.00 ALOX5AP (0.35) ALOX5APFEN1F10PTGDR2PTGDR
SCHEMBL734604 0.93 PTGDR2 (0.36) F10PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734605 0.93 PTGDR2 (0.36) F10PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734265 0.91 SCN9A (0.34) ALOX5APFEN1F10MAPK1RXFP1
SCHEMBL734264 0.91 SCN9A (0.34) ALOX5APFEN1F10MAPK1RXFP1
SCHEMBL734418 0.90 PTGDR2 (0.37) F10PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734417 0.90 PTGDR2 (0.37) F10PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL733787 0.90 SCN9A (0.39) F10PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734331 0.90 F10 (0.41) F10PTGDR2PTGDRTBXA2R
SCHEMBL734332 0.90 F10 (0.41) F10PTGDR2PTGDRTBXA2R

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
EP-2307383-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2012-05-16 EP claimed
US-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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 ALOX5AP 613/4885FEN1 4421/4885F10 736/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 ALOX5AP 613/4885FEN1 4421/4885F10 736/4885

“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.