SCHEMBL21645367

SCHEMBL21645367

O=C(O)Nc1ccc(NC(=O)c2cc(Cl)cc3[nH]c(C(F)(F)F)nc23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.52
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL30899215 0.87 PTGES (0.49) PTGESTRPV1
SCHEMBL23512223 0.87 PTGES (0.49) PTGESTRPV1
SCHEMBL30899213 0.82 NPC1 (0.54) PTGESTRPV1
SCHEMBL21645632 0.82 NPC1 (0.54) PTGESTRPV1
SCHEMBL21645366 0.82 PTGES (0.52) PTGES
SCHEMBL30899214 0.82 PTGES (0.52) PTGES
SCHEMBL19064507 0.81 P2RX1 (0.55) PTGES
SCHEMBL29577337 0.81 P2RX1 (0.55) PTGES
SCHEMBL21645628 0.78 PTGES (0.54) PTGES
SCHEMBL30899219 0.78 PTGES (0.54) PTGES

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-11987579-B2 Niclosamide analogues and therapeutic use thereof DUKE UNIVERSITY (US) 2024-05-21 US disclosed
US-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY 2021-06-17 US disclosed
WO-2020028392-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DUKE UNIVERSITY (US) 2020-02-06 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 (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-20210179615-A1 NICLOSAMIDE ANALOGUES AND THERAPEUTIC USE THEREOF DNER, SFRP1, WNT1 PTGES 1773/4885TRPV1 1540/4885
US-11987579-B2 Niclosamide analogues and therapeutic use thereof DNER, SFRP1, WNT1 PTGES 1773/4885TRPV1 1540/4885

“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.