SCHEMBL733319

SCHEMBL733319

Cc1ccc(Oc2ccc(S(=O)(=O)N(C)C3CCCc4c3cnn4CC(=O)O)cc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
FFAR1 O14842 1/20 0.35
GAA P10253 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
RUNX1 Q01196 1/20 0.34
ATM Q13315 1/20 0.34
CBFB Q13951 1/20 0.34
RCE1 Q9Y256 1/20 0.34
MAPK1 P28482 1/20 0.34
GCK P35557 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR6 P50406 1/20 0.32
SCN1A P35498 1/20 0.32
SCN8A Q9UQD0 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
SCHEMBL733318 1.00 F10 (0.37) F10FFAR1GAAALDH1A1KDM4E
SCHEMBL731649 0.95 F10 (0.41) F10FFAR1GAAALDH1A1MAPK1
SCHEMBL731650 0.95 F10 (0.41) F10FFAR1GAAALDH1A1MAPK1
SCHEMBL733652 0.94 NPBWR1 (0.38) F10FFAR1ALDH1A1KDM4EHPGD
SCHEMBL733653 0.94 NPBWR1 (0.38) F10FFAR1ALDH1A1KDM4EHPGD
SCHEMBL732838 0.94 GCK (0.39) F10FFAR1GAAALDH1A1MAPK1
SCHEMBL732837 0.94 GCK (0.39) F10FFAR1GAAALDH1A1MAPK1
SCHEMBL733798 0.94 F10 (0.38) F10FFAR1GAAALDH1A1MAPK1
SCHEMBL733797 0.94 F10 (0.38) F10FFAR1GAAALDH1A1MAPK1
SCHEMBL734493 0.93 PTGDR2 (0.38) F10FFAR1KCNH2

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 F10 736/4885FFAR1 43/4885GAA 1669/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885FFAR1 43/4885GAA 1669/4885

“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.