SCHEMBL21603157

SCHEMBL21603157

Cc1cc2c(cc1F)NCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
GAA P10253 2/20 0.54
HSD17B10 Q99714 2/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
AR P10275 1/20 0.40
FABP6 P51161 1/20 0.38
EGFR P00533 1/20 0.38
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
BRD4 O60885 1/20 0.35
TRPV1 Q8NER1 2/20 0.33
PRKCI P41743 1/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2C P18825 2/20 0.33

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
SCHEMBL12116978 0.93 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL11342856 0.85 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL9799216 0.79 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL27432534 0.79 EGFR (0.48) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL9617547 0.79 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL304275 0.79 ALDH1A1 (0.54) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL16858400 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL31248976 0.79 ALDH1A1 (0.46) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL3199218 0.76 ALDH1A1 (0.51) ALDH1A1GAAHSD17B10MAPTKDM4E
SCHEMBL22226821 0.76 GAA (0.51) ALDH1A1GAAHSD17B10MAPTKDM4E

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
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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 (2 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-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885GAA 15/4885HSD17B10 2463/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885GAA 15/4885HSD17B10 2463/4885

“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.