SCHEMBL733798

SCHEMBL733798

CN(C1CCCc2c1cnn2CC(=O)O)S(=O)(=O)c1ccc(Oc2ccccc2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.38
PREP P48147 1/20 0.36
GAA P10253 1/20 0.35
FFAR1 O14842 1/20 0.35
MAPK1 P28482 1/20 0.35
PTGDR2 Q9Y5Y4 4/20 0.33
TBXA2R P21731 3/20 0.33
PTGDR Q13258 3/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33
MMP13 P45452 1/20 0.33
MMP14 P50281 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
SCHEMBL733797 1.00 F10 (0.38) F10PREPGAAFFAR1MAPK1
SCHEMBL731650 0.94 F10 (0.41) F10GAAFFAR1MAPK1PTGDR2
SCHEMBL731649 0.94 F10 (0.41) F10GAAFFAR1MAPK1PTGDR2
SCHEMBL732338 0.94 F10 (0.39) F10GAAFFAR1MAPK1PTGDR2
SCHEMBL732337 0.94 F10 (0.39) F10GAAFFAR1MAPK1PTGDR2
SCHEMBL733652 0.94 NPBWR1 (0.38) F10FFAR1MAPK1PTGDR2PTGDR
SCHEMBL733319 0.94 F10 (0.37) F10GAAFFAR1MAPK1ALDH1A1
SCHEMBL732838 0.94 GCK (0.39) F10PREPGAAFFAR1MAPK1
SCHEMBL732837 0.94 GCK (0.39) F10PREPGAAFFAR1MAPK1
SCHEMBL733318 0.94 F10 (0.37) F10GAAFFAR1MAPK1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 736/4885PREP 1316/4885GAA 1669/4885
US-20100016369-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 F10 736/4885PREP 1316/4885GAA 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.