SCHEMBL702760

SCHEMBL702760

CN(C1CCCc2c1cnn2CCC(=O)O)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PTGDR2 Q9Y5Y4 7/20 0.36
TBXA2R P21731 4/20 0.36
PTGDR Q13258 4/20 0.36
S1PR1 P21453 3/20 0.36
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
CNR1 P21554 1/20 0.34
SERPINE1 P05121 1/20 0.34
CACNA1B Q00975 1/20 0.32
BTK Q06187 2/20 0.32
CRHR1 P34998 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNH2 Q12809 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
SCHEMBL702759 1.00 L3MBTL1 (0.38) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1
SCHEMBL700249 0.93 PTGDR2 (0.34) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1
SCHEMBL700247 0.93 PTGDR2 (0.34) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1
SCHEMBL701260 0.93 PTGDR2 (0.33) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1
SCHEMBL701262 0.93 PTGDR2 (0.33) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1
SCHEMBL700440 0.93 PTGDR2 (0.33) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1
SCHEMBL700439 0.93 PTGDR2 (0.33) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1
SCHEMBL701282 0.92 L3MBTL1 (0.39) L3MBTL1PTGDR2TBXA2RPTGDRHTR2A
SCHEMBL701281 0.92 L3MBTL1 (0.39) L3MBTL1PTGDR2TBXA2RPTGDRHTR2A
SCHEMBL701261 0.92 PTGDR2 (0.33) L3MBTL1PTGDR2TBXA2RPTGDRS1PR1

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
US-8124641-B2 Aminotetrahydroindazoloacetic acids HOFFMANN-LA ROCHE INC. (US) 2012-02-28 US claimed
EP-2307382-B1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HOFFMANN LA ROCHE (CH) 2011-12-21 EP 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 L3MBTL1 4710/4885PTGDR2 15/4885TBXA2R 8/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 L3MBTL1 4710/4885PTGDR2 15/4885TBXA2R 8/4885

“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.