SCHEMBL732836

SCHEMBL732836

CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)CN[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.37
FFAR1 O14842 1/20 0.35
SCN9A Q15858 2/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
SLC9A3 P48764 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
SCHEMBL733317 0.94 FFAR1 (0.35) GCKFFAR1SCN9A
SCHEMBL733651 0.94 NPBWR1 (0.37) FFAR1
SCHEMBL731648 0.94 FFAR1 (0.39) FFAR1SCN9A
SCHEMBL733796 0.93 PREP (0.36) FFAR1PREP
SCHEMBL3168499 0.92 FFAR1 (0.35) GCKFFAR1SCN9A
SCHEMBL734491 0.92 FFAR1 (0.35) FFAR1SCN9A
SCHEMBL734027 0.92 FFAR1 (0.35) GCKFFAR1SCN9A
SCHEMBL731661 0.92 NPC1 (0.37) GCK
SCHEMBL733900 0.91 MEN1 (0.39) FFAR1
SCHEMBL734646 0.91 OPRK1 (0.39) FFAR1SCN9A

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 GCK 1960/4885FFAR1 43/4885SCN9A 2017/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GCK 1960/4885FFAR1 43/4885SCN9A 2017/4885

“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.