SCHEMBL702668

SCHEMBL702668

COC(=O)CCn1ncc2c1CCC[C@H]2N(C)S(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)CC(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.32
BDKRB1 P46663 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
SCHEMBL700248 0.92 PTGDR2 (0.33) BDKRB1
SCHEMBL701470 0.91 HTR2A (0.33) GPBAR1BDKRB1
SCHEMBL701471 0.91 HTR2A (0.33) GPBAR1BDKRB1
SCHEMBL701709 0.91 GCK (0.32) GPBAR1
SCHEMBL701711 0.91 GCK (0.32) GPBAR1
SCHEMBL701710 0.90 GPBAR1 (0.35) GPBAR1
SCHEMBL702667 0.89 BTK (0.31) GPBAR1
SCHEMBL702669 0.89 BTK (0.31) GPBAR1
SCHEMBL732963 0.88 CETP (0.35) GPBAR1BDKRB1
SCHEMBL2625189 0.88 ALDH1A1 (0.31) GPBAR1BDKRB1

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 11 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
JP-2011528002-A 2011-11-10 JP claimed
EP-2307382-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS CHEN LI 2010-01-21 US claimed
WO-2010006939-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-21 WO 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 GPBAR1 92/4885BDKRB1 51/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GPBAR1 92/4885BDKRB1 51/4885

“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.