SCHEMBL1963900

SCHEMBL1963900

CSc1ccc(C(O)CC2CCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC6A4 P31645 2/20 0.40
IDO1 P14902 7/20 0.38
TDO2 P48775 7/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL28819817 0.80 SLC6A4 (0.40) SLC6A4ALDH1A1
SCHEMBL13232182 0.79 EPHX1 (0.49) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL10021113 0.79 METAP2 (0.47) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL2646161 0.78 AKR1C3 (0.40) SLC6A4ALDH1A1
SCHEMBL12742235 0.78 GCK (0.38) SLC6A4ALDH1A1
SCHEMBL1107404 0.78 AKR1C3 (0.40) SLC6A4ALDH1A1
SCHEMBL7496186 0.77 CYP1A2 (0.59) CYP1A2CYP2D6HIF1A
SCHEMBL28819819 0.76 ALDH1A1 (0.37) SLC6A4ALDH1A1
SCHEMBL18660426 0.76 NFE2L2 (0.44) CYP1A2CYP2D6HIF1AIDO1TDO2
SCHEMBL10633563 0.76 SLC6A2 (0.54) SLC6A4IDO1TDO2

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
CN-102686587-B Azaindole glucokinase activators HOFFMANN LA ROCHE 2015-05-27 CN disclosed
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
US-8222416-B2 Azaindole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-07-17 US disclosed
WO-2011073117-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed
US-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2011-06-16 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-20110144105-A1 AZAINDOLE GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 CYP1A2 580/4885CYP2D6 458/4885HIF1A 3530/4885

“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.