SCHEMBL733651

SCHEMBL733651

COc1ccc(Oc2ccc(S(=O)(=O)CN[C@@H]3CCCc4c3cnn4CC(=O)O)cc2Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
PKM P14618 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SCN1A P35498 1/20 0.35
SCN8A Q9UQD0 1/20 0.35
FFAR1 O14842 1/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 2/20 0.34
TAS1R3 Q7RTX0 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
SCHEMBL733317 0.94 FFAR1 (0.35) ALDH1A1SCN1ASCN8AFFAR1GAA
SCHEMBL732836 0.94 GCK (0.37) FFAR1
SCHEMBL731648 0.94 FFAR1 (0.39) SMN1; SMN2ALDH1A1FFAR1PTGER3KMT2A
SCHEMBL733796 0.93 PREP (0.36) SMN1; SMN2NPSR1FFAR1MEN1KMT2A
SCHEMBL734491 0.92 FFAR1 (0.35) SMN1; SMN2SCN1ASCN8AFFAR1GAA
SCHEMBL734027 0.92 FFAR1 (0.35) SMN1; SMN2MAPTFFAR1GAAMEN1
SCHEMBL3168499 0.92 FFAR1 (0.35) SMN1; SMN2MAPTFFAR1GAAMEN1
SCHEMBL731661 0.92 NPC1 (0.37) MEN1KMT2ATNFNOD1
SCHEMBL733900 0.91 MEN1 (0.39) PKMALDH1A1FFAR1GAAMEN1
SCHEMBL734646 0.91 OPRK1 (0.39) SMN1; SMN2ALDH1A1FFAR1KMT2ANOD2

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 NPBWR1 50/4885SMN1; SMN2 4457/4885CYP1A2 409/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 NPBWR1 50/4885SMN1; SMN2 4457/4885CYP1A2 409/4885

“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.