SCHEMBL1865729

SCHEMBL1865729

c1ccc(COCC2COC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
CTSL P07711 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
LMNA P02545 1/20 0.47
NAAA Q02083 1/20 0.45
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
AGTR2 P50052 1/20 0.41
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
BUB1 O43683 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL1862005 0.82 TAAR1 (0.47) TSHRTAAR1CTSLCTSBCTSK
SCHEMBL16397855 0.82 TAAR1 (0.50) TSHRTAAR1CTSLCTSBCTSK
SCHEMBL1928095 0.82 TSHR (0.58) TSHRTAAR1CTSLCTSBCTSK
SCHEMBL17019782 0.82 TSHR (0.58) TSHRTAAR1CTSLCTSBCTSK
SCHEMBL13689014 0.81 TSHR (0.48) TSHRTAAR1CTSLCTSBCTSK
SCHEMBL12677784 0.81 TAAR1 (0.46) TSHRTAAR1CTSLCTSBCTSK
SCHEMBL23668712 0.80 IDO1 (0.49) TAAR1ACHEHRH3
SCHEMBL1477103 0.80 KDM1A (0.37) TAAR1CTSLCTSBCTSKLMNA
SCHEMBL10929295 0.79 TAAR1 (0.43) TSHRTAAR1CTSLCTSBCTSK
SCHEMBL880157 0.78 TSHR (0.54) TSHRTAAR1CTSLCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (1 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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 TSHR 2577/4885TAAR1 4374/4885CTSL 1928/4885

“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.