SCHEMBL21877973

SCHEMBL21877973

CC(=O)OCc1nc2c(Cl)ncnc2n1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.37
HSP90AB1 P08238 3/20 0.37
FBP1 P09467 4/20 0.36
KMT2A Q03164 2/20 0.33
SMYD2 Q9NRG4 2/20 0.33
MAPT P10636 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25351194 0.87 FBP1 (0.38) FBP1KMT2ALMNA
SCHEMBL5376646 0.78 FBP1 (0.37) HSP90AA1HSP90AB1FBP1
SCHEMBL21878182 0.74 FBP1 (0.41) FBP1KMT2AMAPTALDH1A1MEN1
SCHEMBL21877998 0.70 HPRT1 (0.35) FBP1KMT2ASMYD2MAPTKDM4E
SCHEMBL25328099 0.70 ALDH1A1 (0.42) SMYD2ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL21878046 0.69 CYP1A2 (0.42) HSP90AA1HSP90AB1KMT2AALDH1A1MEN1
SCHEMBL21878009 0.68 ALDH1A1 (0.31) HSP90AA1HSP90AB1ALDH1A1KDM4EPKM
SCHEMBL21878072 0.68 ALDH1A1 (0.40) FBP1KMT2AMAPTALDH1A1KDM4E
SCHEMBL21878081 0.67 ALDH1A1 (0.32) KMT2AMAPTALDH1A1KDM4EMEN1
SCHEMBL21878045 0.67 SMN1; SMN2 (0.35) KMT2AMAPTALDH1A1KDM4EMEN1

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-20220048936-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC (US) 2022-02-17 US disclosed
US-11161864-B2 Sting agonists Venenum Biodesign, LLC (US) 2021-11-02 US disclosed
US-20200131209-A1 NOVEL STING AGONISTS Venenum Biodesign, LLC 2020-04-30 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 (3 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-20200131209-A1 NOVEL STING AGONISTS STING1, CGAS, TBK1 HSP90AA1 4396/4885HSP90AB1 4094/4885FBP1 3836/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS HSP90AA1 4248/4885HSP90AB1 3809/4885FBP1 3653/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS HSP90AA1 4290/4885HSP90AB1 3875/4885FBP1 3622/4885

“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.