SCHEMBL1773802

SCHEMBL1773802

O=S(=O)(Oc1ccc(-c2cccc3cccnc23)cc1)C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 1/20 0.54
PDE4A P27815 4/20 0.49
PDE4C Q08493 4/20 0.49
PDE4D Q08499 4/20 0.49
SLC40A1 Q9NP59 5/20 0.47
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALOX12 P18054 1/20 0.43
FABP1 P07148 4/20 0.43
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MAPK1 P28482 1/20 0.40
CA9 Q16790 1/20 0.40
TP53 P04637 2/20 0.40
HTT P42858 2/20 0.40
GMNN O75496 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL28787391 0.94 ENPP1 (0.55) ENPP1PDE4APDE4CPDE4DSLC40A1
SCHEMBL18388845 0.83 TOP1 (0.41) ENPP1PDE4APDE4CPDE4DSLC40A1
SCHEMBL1773804 0.81 METAP2 (0.53) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL12599618 0.81 ENPP1 (0.40) ENPP1PDE4APDE4CPDE4DSLC40A1
SCHEMBL28787390 0.80 GLO1 (0.42) ENPP1PDE4APDE4CPDE4DSLC40A1
SCHEMBL28158975 0.80 SLC40A1 (0.46) ENPP1PDE4APDE4CPDE4DSLC40A1
SCHEMBL8011307 0.80 CA12 (0.56) PDE4APDE4CPDE4DCA1CA2
SCHEMBL12566059 0.80 SLC40A1 (0.43) ENPP1PDE4APDE4CPDE4DSLC40A1
SCHEMBL249779 0.79 METAP2 (0.64) PDE4APDE4CPDE4DSLC40A1METAP2
SCHEMBL12599627 0.78 CKS1B (0.44) PDE4APDE4CPDE4DGLO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230337527-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME LAPTO CO., LTD. (KR) 2023-10-19 US disclosed
US-20230337527-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME LAPTO CO., LTD. (KR) 2023-10-19 US disclosed
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-05-12 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 (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-20230337527-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME AOC1, ODC1, PIEZO1 ENPP1 687/4885PDE4A 4068/4885PDE4C 3555/4885
US-20110112103-A1 5-HYDROXYPYRIMIDINE-4-CARBOXAMIDE COMPOUND EPOR, CBR1, CBR3 ENPP1 1939/4885PDE4A 3098/4885PDE4C 3136/4885

“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.