SCHEMBL1962048

SCHEMBL1962048

O=S(=O)(c1ccccc1)n1c(C(O)CC2CCCC2)cc2cc(C(F)(F)F)cnc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.38
IDO1 P14902 3/20 0.38
TDO2 P48775 3/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
GCK P35557 2/20 0.37
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
PDE5A O76074 1/20 0.35
PDE4A P27815 1/20 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
SCHEMBL1963563 0.87 RECQL (0.36) ALDH1A1IDO1TDO2PDE5APDE4A
SCHEMBL1962077 0.85 PDE5A (0.38) IDO1TDO2PPARGPPARAGCK
SCHEMBL1961925 0.83 FKBP1A (0.36) IDO1TDO2KMT2ALMNAMAPT
SCHEMBL1961549 0.82 IDO1 (0.36) ALDH1A1KDM4EIDO1TDO2KMT2A
SCHEMBL1958810 0.82 SMN1; SMN2 (0.35) HPGDIDO1TDO2LMNAPDE5A
SCHEMBL1961542 0.82 RECQL (0.45) ALDH1A1IDO1TDO2GCKLMNA
SCHEMBL1962889 0.81 AADAT (0.34) HPGDIDO1TDO2PDE5APDE4A
SCHEMBL1962404 0.81 ALDH1A1 (0.41) ALDH1A1USP2GAAHPGDNPSR1
SCHEMBL27889611 0.81 CASP3 (0.34) ALDH1A1HPGDKDM4EIDO1TDO2
SCHEMBL1959421 0.81 KDM4E (0.36) ALDH1A1KDM4EGCKKMT2ALMNA

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
EP-2513103-A1 AZAINDOLE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-10-24 EP disclosed
CN-102686587-A Azaindole glucokinase activators HOFFMANN LA ROCHE 2012-09-19 CN 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 769/4885USP2 2799/4885GAA 55/4885

“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.