SCHEMBL701262

SCHEMBL701262

CC(C)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)C2CCCc3c2cnn3CCC(=O)O)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.33
TBXA2R P21731 3/20 0.33
PTGDR Q13258 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
GCK P35557 1/20 0.32
S1PR1 P21453 2/20 0.32
BTK Q06187 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
RORC P51449 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL701260 1.00 PTGDR2 (0.33) PTGDR2TBXA2RPTGDRL3MBTL1GCK
SCHEMBL703447 0.93 GCK (0.35) PTGDR2TBXA2RPTGDRL3MBTL1GCK
SCHEMBL703449 0.93 GCK (0.35) PTGDR2TBXA2RPTGDRL3MBTL1GCK
SCHEMBL702759 0.93 L3MBTL1 (0.38) PTGDR2TBXA2RPTGDRL3MBTL1S1PR1
SCHEMBL702760 0.93 L3MBTL1 (0.38) PTGDR2TBXA2RPTGDRL3MBTL1S1PR1
SCHEMBL701709 0.91 GCK (0.32) GCKBTK
SCHEMBL701711 0.91 GCK (0.32) GCKBTK
SCHEMBL700248 0.91 PTGDR2 (0.33) PTGDR2TBXA2RPTGDRL3MBTL1S1PR1
SCHEMBL700247 0.89 PTGDR2 (0.34) PTGDR2TBXA2RPTGDRL3MBTL1S1PR1
SCHEMBL700249 0.89 PTGDR2 (0.34) PTGDR2TBXA2RPTGDRL3MBTL1S1PR1

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-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
US-8268870-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI (CN) 2012-04-19 US disclosed
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US disclosed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP disclosed
US-20100016368-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-20120095053-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885TBXA2R 8/4885PTGDR 11/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 PTGDR2 15/4885TBXA2R 8/4885PTGDR 11/4885

“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.