SCHEMBL701710

SCHEMBL701710

CCCS(=O)(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)N(C)[C@@H]2CCCc3c2cnn3CCC(=O)OC)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 3/20 0.35
MITF O75030 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
S1PR1 P21453 1/20 0.31
STAT3 P40763 1/20 0.31
STAT1 P42224 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BTK Q06187 4/20 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
SCHEMBL701471 0.92 HTR2A (0.33) GPBAR1BTK
SCHEMBL701470 0.92 HTR2A (0.33) GPBAR1BTK
SCHEMBL701261 0.92 PTGDR2 (0.33) GPBAR1LMNAS1PR1
SCHEMBL702668 0.90 GPBAR1 (0.32) GPBAR1
SCHEMBL702669 0.89 BTK (0.31) GPBAR1BTK
SCHEMBL702667 0.89 BTK (0.31) GPBAR1BTK
SCHEMBL732963 0.89 CETP (0.35) GPBAR1BTK
SCHEMBL701711 0.89 GCK (0.32) GPBAR1BTK
SCHEMBL2625189 0.89 ALDH1A1 (0.31) GPBAR1BTK
SCHEMBL701709 0.89 GCK (0.32) GPBAR1BTK

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 GPBAR1 92/4885MITF 2233/4885S1PR4 2237/4885
US-20100016368-A1 AMINOTETRAHYDROINDAZOLOACETIC ACIDS HRH2, HRH1, HRH4 GPBAR1 92/4885MITF 2233/4885S1PR4 2237/4885

“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.