SCHEMBL1963034

SCHEMBL1963034

COc1cnc2c(c1)cc(C(O)c1ccc(SC)c(C(F)(F)F)c1)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.35
MAPT P10636 2/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
NFE2L2 Q16236 3/20 0.34
CYP3A4 P08684 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
HTR6 P50406 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31

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
SCHEMBL1962390 0.85 RECQL (0.44) RECQLMAPTALDH1A1HTR6HSD11B1
SCHEMBL1961237 0.82 HDAC3 (0.42) MAPTTSHRRAB9ANFE2L2CYP3A4
SCHEMBL1960448 0.73 RECQL (0.41) RECQLMAPTTSHRRAB9AALDH1A1
SCHEMBL1683406 0.71 HTR6 (0.46) MAPTTSHRRAB9AKDM4EALDH1A1
SCHEMBL17927534 0.70 HDAC3 (0.43) RECQLMAPTPOLBHTR6L3MBTL1
SCHEMBL22494274 0.69 HTR6 (0.44) MAPTTSHRRAB9AKDM4EALDH1A1
SCHEMBL1961925 0.69 FKBP1A (0.36) RECQLMAPTRAB9APOLBHTR6
SCHEMBL1961549 0.69 IDO1 (0.36) RECQLMAPTRAB9AKDM4EALDH1A1
SCHEMBL1962099 0.68 RECQL (0.50) RECQLMAPTALDH1A1HTR6L3MBTL1
SCHEMBL1959821 0.67 NPC1 (0.36) RECQLTSHRKDM4EALDH1A1HPGD

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 RECQL 3296/4885MAPT 4347/4885TSHR 2850/4885

“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.