SCHEMBL17845892

SCHEMBL17845892

O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)ccc1O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 11/20 0.80
P2RX1 P51575 8/20 0.71
P2RX4 Q99571 4/20 0.71
P2RX7 Q99572 4/20 0.71
PLAU P00749 2/20 0.61
F2 P00734 1/20 0.61
F10 P00742 1/20 0.61
PLAT P00750 1/20 0.61
ALOX15 P16050 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.56
IKBKB O14920 1/20 0.56
CHUK O15111 1/20 0.56
KDR P35968 1/20 0.56
FLT3 P36888 1/20 0.56
KMT2A Q03164 1/20 0.56
MYLK Q15746 1/20 0.56
MAP4K5 Q9Y4K4 1/20 0.56
PTGS1 P23219 1/20 0.52
SLC2A1 P11166 1/20 0.52

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
SCHEMBL30771749 1.00 TMPRSS4 (0.80) TMPRSS4P2RX1P2RX4P2RX7PLAU
SCHEMBL129707 0.89 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7MEN1
Dibromsalan SCHEMBL29496335 0.86 PLAU (0.73) TMPRSS4P2RX1PLAUF2F10
Dibromsalan SCHEMBL646973 0.86 PLAU (0.73) TMPRSS4P2RX1PLAUF2F10
SCHEMBL129638 0.86 TMPRSS4 (0.90) TMPRSS4P2RX1P2RX4P2RX7PLAU
SCHEMBL330388 0.85 TMPRSS4 (0.78) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL24824532 0.84 P2RX1 (0.79) TMPRSS4P2RX1P2RX4P2RX7SMN1; SMN2
SCHEMBL3853307 0.83 SMN1; SMN2 (0.70) TMPRSS4P2RX1P2RX4P2RX7SMN1; SMN2
SCHEMBL17779272 0.83 P2RX1 (0.71) TMPRSS4P2RX1P2RX4P2RX7SMN1; SMN2
SCHEMBL24460414 0.83 P2RX1 (0.80) TMPRSS4P2RX1P2RX4P2RX7PLAU

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
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 US claimed
US-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections THE FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION 2024-01-04 US disclosed
WO-2022109148-A1 SMALL MOLECULE INHIBITORS OF SARS-COV-2 INFECTIONS THE USA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2022-05-27 WO disclosed
WO-2016095878-A1 SUBSTITUTED DERIVATIVE OF OXYPHOSPHORUS ACIDS, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-23 WO disclosed
WO-2016095878-A1 SUBSTITUTED DERIVATIVE OF OXYPHOSPHORUS ACIDS, ITS USE AND PHARMACEUTICAL PREPARATION CONTAINING IT UNIVERZITA KARLOVA V PRAZE (CZ) 2016-06-23 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-20240002332-A1 Small Molecule Inhibitors of SARS-CoV-2 Infections ACE2, ACE, TMPRSS2 TMPRSS4 14/4885P2RX1 2669/4885P2RX4 3287/4885

“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.