SCHEMBL30771745

SCHEMBL30771745

COc1cccc(NC(=O)c2cc(Cl)ccc2O)c1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FADS1 O60427 2/20 0.81
▸ P2RX1 P51575 11/20 0.78
▸ P2RX4 Q99571 3/20 0.72
▸ P2RX7 Q99572 3/20 0.72
▸ TMPRSS4 Q9NRS4 5/20 0.66
▸ NPC1 O15118 1/20 0.66
▸ RAB9A P51151 1/20 0.66
▸ TP53 P04637 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ SLC2A1 P11166 1/20 0.62
▸ ALDH1A1 P00352 1/20 0.60
▸ KDM4E B2RXH2 1/20 0.60
▸ GAA P10253 1/20 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
SCHEMBL4270372 1.00 FADS1 (0.81) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189706 0.88 P2RX1 (0.72) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189709 0.86 FADS1 (0.82) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL14363185 0.85 FADS1 (0.67) FADS1P2RX1NPC1RAB9ATP53
SCHEMBL18290068 0.85 P2RX1 (0.80) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13189703 0.85 P2RX1 (1.00) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL11932152 0.84 P2RX1 (1.00) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL3860231 0.82 P2RX1 (0.78) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812620 0.82 FADS1 (0.65) FADS1P2RX1P2RX4P2RX7TMPRSS4
SCHEMBL13812611 0.82 P2RX1 (0.66) FADS1P2RX1P2RX4P2RX7TMPRSS4

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 1 patent. 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 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 FADS1 466/4885P2RX1 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.

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