SCHEMBL20533247

SCHEMBL20533247

COc1cc(C(=O)NCCOCCOCCOCCNC(=O)CCCCC2SCC3NC(=O)NC32)ccc1NC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LY6K Q17RY6 1/20 0.53
PKM P14618 2/20 0.52
L3MBTL3 Q96JM7 1/20 0.48
FOLH1 Q04609 3/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
FLT1 P17948 2/20 0.45
FLT4 P35916 2/20 0.45
KDR P35968 2/20 0.45
PRSS1 P07477 2/20 0.45
PRSS2 P07478 2/20 0.45
PRSS3 P35030 2/20 0.45
TPSAB1 Q15661 2/20 0.45
F2 P00734 1/20 0.45
TXK P42681 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK3 P27361 1/20 0.43
NSD2 O96028 1/20 0.43

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
SCHEMBL23879987 0.93 PKM (0.51) LY6KPKML3MBTL3FOLH1TLR2
SCHEMBL20533341 0.91 PKM (0.52) LY6KPKML3MBTL3FOLH1TLR2
SCHEMBL20533047 0.90 PKM (0.48) LY6KPKML3MBTL3FOLH1TLR2
SCHEMBL20533126 0.78 FOLH1 (0.66) LY6KPKML3MBTL3FOLH1FLT1
SCHEMBL19326754 0.76 PKM (0.60) LY6KPKML3MBTL3FOLH1FLT1
SCHEMBL18341213 0.74 FLT1 (0.52) PKML3MBTL3FOLH1TLR2TLR1
SCHEMBL13528030 0.73 PKM (0.62) LY6KPKML3MBTL3FOLH1FLT1
SCHEMBL13528559 0.73 PKM (0.60) LY6KPKML3MBTL3FOLH1PRSS1
SCHEMBL23880018 0.72 PKM (0.63) LY6KPKML3MBTL3FOLH1PRSS1
SCHEMBL10191057 0.72 FOLH1 (0.55) LY6KPKML3MBTL3FOLH1PRSS1

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-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 US disclosed
US-11136301-B2 Broad spectrum antiviral compounds and uses thereof The Regents of the University of California, A California Corporation et al. (US) 2021-10-05 US disclosed
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF THE UNIVERSITY OF MIAMI 2018-10-18 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-11136301-B2 Broad spectrum antiviral compounds and uses thereof MAVS, EIF2AK2, ZC3HAV1 LY6K 939/4885PKM 2855/4885L3MBTL3 617/4885
US-20180297963-A1 BROAD SPECTRUM ANTIVIRAL COMPOUNDS AND USES THEREOF MAVS, EIF2AK2, ZC3HAV1 LY6K 939/4885PKM 2855/4885L3MBTL3 617/4885

“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.