SCHEMBL731649

SCHEMBL731649

CN([C@@H]1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
FFAR1 O14842 3/20 0.39
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MCL1 Q07820 1/20 0.35
TBXA2R P21731 2/20 0.34
PTGDR Q13258 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
MAPK14 Q16539 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR6 P50406 1/20 0.34
GCK P35557 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL731650 1.00 F10 (0.41) F10FFAR1KMT2AALDH1A1MCL1
SCHEMBL733318 0.95 F10 (0.37) F10FFAR1KMT2AALDH1A1GAA
SCHEMBL733319 0.95 F10 (0.37) F10FFAR1KMT2AALDH1A1GAA
SCHEMBL733653 0.95 NPBWR1 (0.38) F10FFAR1KMT2AALDH1A1PTGDR
SCHEMBL732838 0.95 GCK (0.39) F10FFAR1KMT2AALDH1A1GAA
SCHEMBL733652 0.95 NPBWR1 (0.38) F10FFAR1KMT2AALDH1A1PTGDR
SCHEMBL732837 0.95 GCK (0.39) F10FFAR1KMT2AALDH1A1GAA
SCHEMBL733798 0.94 F10 (0.38) F10FFAR1KMT2AALDH1A1TBXA2R
SCHEMBL733797 0.94 F10 (0.38) F10FFAR1KMT2AALDH1A1TBXA2R
SCHEMBL734028 0.94 F10 (0.36) F10FFAR1KMT2AALDH1A1MCL1

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 16 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
US-8420675-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2013-04-16 US disclosed
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-20120101131-A1 Aminotetrahydroindazoloacetic Acids CHEN LI (CN) 2012-04-26 US 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-8138208-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-03-20 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
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 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 43/4885KMT2A 2156/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885FFAR1 43/4885KMT2A 2156/4885

“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.