SCHEMBL23112265

SCHEMBL23112265

O=[N+]([O-])c1cc2ccccc2cc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.48
MASP2 O00187 1/20 0.43
F2 P00734 1/20 0.43
EPAS1 Q99814 1/20 0.43
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH3A1 P30838 1/20 0.40
HSPB1 P04792 2/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CASP6 P55212 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.38

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
SCHEMBL31090810 0.83 CRHBP (0.45) PTPN1MASP2F2MAPTLMNA
SCHEMBL3349131 0.81 ALDH1A1 (0.51) MAPTLMNAMAPK1RECQLL3MBTL1
SCHEMBL229088 0.81 HSPB1 (0.47) PTPN1MASP2F2EPAS1ALDH3A1
SCHEMBL8616810 0.81 HSPB1 (0.51) PTPN1PDE4APDE4CPDE4DHSPB1
SCHEMBL31090808 0.81 HSPB1 (0.47) PTPN1MASP2F2EPAS1ALDH3A1
SCHEMBL3434990 0.80 PTPN1 (0.49) PTPN1MASP2F2EPAS1ALDH3A1
SCHEMBL2364522 0.80 PTPN1 (0.49) PTPN1ALDH3A1MAPTMAPK1ALDH1A1
SCHEMBL31090817 0.80 PTPN1 (0.49) PTPN1ALDH3A1MAPTMAPK1ALDH1A1
SCHEMBL810810 0.79 TSHR (0.49) PTPN1MAPTLMNAMAPK1ALDH1A1
SCHEMBL8722119 0.79 CTSB (0.45) PTPN1MASP2F2EPAS1ALDH3A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3795569-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEMICAL LTD (KR) 2024-11-06 EP disclosed
US-11858947-B2 Heterocyclic compound and organic light emitting device including the same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
CN-112533911-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-12-26 CN disclosed
CN-112262135-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2023-10-24 CN disclosed
CN-112334463-B Compound and organic light emitting device comprising the same 株式会社LG化学 2023-09-01 CN disclosed
US-20210340159-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME LG CHEM, LTD. (KR) 2021-11-04 US disclosed
EP-3795569-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2021-03-24 EP disclosed
CN-112334463-A Compound and organic light emitting device including the same 株式会社LG化学 2021-02-05 CN disclosed
CN-112262135-A Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2021-01-22 CN 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-20210340159-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME NR4A1, CYP1A1, ARNT PTPN1 4167/4885MASP2 4462/4885F2 1666/4885
US-11858947-B2 Heterocyclic compound and organic light emitting device including the same NR4A1, CYP1A1, ARNT PTPN1 4167/4885MASP2 4462/4885F2 1666/4885

“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.