SCHEMBL734192

SCHEMBL734192

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 12/20 0.39
F10 P00742 2/20 0.37
EPAS1 Q99814 2/20 0.36
SCN9A Q15858 2/20 0.35
TBXA2R P21731 1/20 0.35
PTGDR Q13258 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
FFAR1 O14842 1/20 0.34

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
SCHEMBL734191 1.00 SOS1 (0.39) SOS1F10EPAS1SCN9ATBXA2R
SCHEMBL731747 0.94 F10 (0.36) SOS1F10SCN9ATBXA2RPTGDR
SCHEMBL731746 0.94 F10 (0.36) SOS1F10SCN9ATBXA2RPTGDR
SCHEMBL734493 0.93 PTGDR2 (0.38) F10TBXA2RPTGDRPTGDR2FFAR1
SCHEMBL734492 0.93 PTGDR2 (0.38) F10TBXA2RPTGDRPTGDR2FFAR1
SCHEMBL731649 0.93 F10 (0.41) F10TBXA2RPTGDRPTGDR2FFAR1
SCHEMBL731650 0.93 F10 (0.41) F10TBXA2RPTGDRPTGDR2FFAR1
SCHEMBL732200 0.92 SOS1 (0.37) SOS1F10EPAS1SCN9A
SCHEMBL732199 0.92 SOS1 (0.37) SOS1F10EPAS1SCN9A
SCHEMBL732338 0.90 F10 (0.39) F10TBXA2RPTGDRPTGDR2FFAR1

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 SOS1 4814/4885F10 736/4885EPAS1 3223/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 SOS1 4814/4885F10 736/4885EPAS1 3223/4885

“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.