SCHEMBL732341

SCHEMBL732341

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1cc(F)c(Oc2ccc(F)cc2)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.34
PTGDR Q13258 8/20 0.34
TBXA2R P21731 6/20 0.34
PREP P48147 3/20 0.33
SCN9A Q15858 1/20 0.33
CYP2C9 P11712 1/20 0.32
KDM4C Q9H3R0 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
SCHEMBL732340 1.00 PTGDR2 (0.34) PTGDR2PTGDRTBXA2RPREPSCN9A
SCHEMBL734414 0.91 SCN9A (0.34) PTGDR2PTGDRTBXA2RSCN9AKDM4C
SCHEMBL734415 0.91 SCN9A (0.34) PTGDR2PTGDRTBXA2RSCN9AKDM4C
SCHEMBL734034 0.91 SCN9A (0.37) PTGDR2PTGDRTBXA2RSCN9ACYP2C9
SCHEMBL734033 0.91 SCN9A (0.37) PTGDR2PTGDRTBXA2RSCN9ACYP2C9
SCHEMBL734511 0.87 HIF1A (0.36) PTGDR2SCN9AKDM4C
SCHEMBL734512 0.87 HIF1A (0.36) PTGDR2SCN9AKDM4C
SCHEMBL734493 0.87 PTGDR2 (0.38) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL734492 0.87 PTGDR2 (0.38) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL732249 0.85 KDM4C (0.39) PREPKDM4C

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 PTGDR2 16/4885PTGDR 12/4885TBXA2R 6/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 16/4885PTGDR 12/4885TBXA2R 6/4885

“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.