SCHEMBL1962544

SCHEMBL1962544

COc1cnc2c(c1)cc(C(O)(CC1CCCO1)SC)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 9/20 0.36
CYP3A4 P08684 9/20 0.36
CYP2C9 P11712 7/20 0.36
USP2 O75604 6/20 0.36
CYP2C19 P33261 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 3/20 0.35
TSHR P16473 5/20 0.35
CLK4 Q9HAZ1 2/20 0.35
CASP1 P29466 3/20 0.35
CASP7 P55210 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
HIF1A Q16665 2/20 0.35

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
SCHEMBL1961509 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL1963274 0.79 ALDH1A1 (0.40) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL1962683 0.79 ALDH1A1 (0.39) ALDH1A1KDM4EHTTCYP1A2CYP3A4
SCHEMBL1683406 0.69 HTR6 (0.46) ALDH1A1KDM4EHTTHPGDSMN1; SMN2
SCHEMBL1958748 0.69 FKBP1A (0.38) HTTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL1961925 0.69 FKBP1A (0.36) HTTMAPK1SMN1; SMN2MEN1KMT2A
SCHEMBL1959821 0.69 NPC1 (0.36) ALDH1A1KDM4EUSP2HPGDSMN1; SMN2
SCHEMBL1964026 0.69 PIK3CG (0.37) ALDH1A1KDM4EHTTUSP2HPGD
SCHEMBL1960226 0.69 FKBP1A (0.38) ALDH1A1KDM4EHTTMAPK1SMN1; SMN2
SCHEMBL1961549 0.69 IDO1 (0.36) ALDH1A1KDM4EHTTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ALDH1A1 769/4885KDM4E 1557/4885HTT 2485/4885

“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.