SCHEMBL22207995

SCHEMBL22207995

O=C(O)CNC(=O)c1c2c(nc3ccccc13)CCCC2

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.73
POLB P06746 9/20 0.69
KDM4E B2RXH2 8/20 0.69
L3MBTL1 Q9Y468 6/20 0.69
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
RECQL P46063 3/20 0.69
MCL1 Q07820 2/20 0.69
CTDSP1 Q9GZU7 2/20 0.69
NPC1 O15118 1/20 0.69
RAB9A P51151 1/20 0.69
ALDH1A1 P00352 7/20 0.64
TDP1 Q9NUW8 2/20 0.64
NR4A1 P22736 1/20 0.64
CASP1 P29466 1/20 0.64
PTPN7 P35236 1/20 0.64
BLM P54132 1/20 0.64
CASP7 P55210 1/20 0.64
PREP P48147 1/20 0.62
MAPT P10636 2/20 0.60

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
SCHEMBL22207998 0.95 HSD17B10 (0.68) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL28757725 0.87 POLB (0.69) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL22374902 0.85 HSD17B10 (0.77) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL22208019 0.84 HSD17B10 (0.76) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL22207990 0.83 POLB (0.69) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL22208011 0.83 HSD17B10 (0.68) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL22208026 0.81 HSD17B10 (0.65) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL2363298 0.81 ALDH1A1 (0.72) HSD17B10POLBKDM4EL3MBTL1MEN1
Water SCHEMBL3871916 0.79 ALDH1A1 (0.70) HSD17B10POLBKDM4EL3MBTL1MEN1
SCHEMBL30861620 0.79 ALDH1A1 (0.70) HSD17B10POLBKDM4EL3MBTL1MEN1

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-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 EP disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 WO disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 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 (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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 HSD17B10 2297/4885POLB 2253/4885KDM4E 2696/4885

“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.