SCHEMBL733317

SCHEMBL733317

Cc1ccc(Oc2ccc(S(=O)(=O)CN[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 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
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
BDKRB1 P46663 2/20 0.33
DHODH Q02127 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SCN9A Q15858 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
SCHEMBL733651 0.94 NPBWR1 (0.37) FFAR1KDM4EALDH1A1GAAHPGD
SCHEMBL732836 0.94 GCK (0.37) FFAR1SCN9AGCK
SCHEMBL731648 0.94 FFAR1 (0.39) FFAR1ALDH1A1SCN9AKMT2A
SCHEMBL733796 0.93 PREP (0.36) FFAR1DHODHKMT2A
SCHEMBL734491 0.92 FFAR1 (0.35) FFAR1GAAATMSCN1ASCN8A
SCHEMBL734027 0.92 FFAR1 (0.35) FFAR1GAAOPRM1OPRD1OPRK1
SCHEMBL3168499 0.92 FFAR1 (0.35) FFAR1GAAOPRM1OPRD1OPRK1
SCHEMBL732615 0.92 DHODH (0.34) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL731661 0.92 NPC1 (0.37) NPC1RAB9AKMT2AGCK
SCHEMBL734248 0.92 KMT2A (0.34) KDM4EALDH1A1GLAGAAHPGD

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 FFAR1 43/4885KDM4E 3971/4885ALDH1A1 507/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 FFAR1 43/4885KDM4E 3971/4885ALDH1A1 507/4885

“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.