SCHEMBL21878063

SCHEMBL21878063

COc1ccc(C(OCc2nc3cnc(C4CC4)nc3n2CCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 4/20 0.38
SLC6A1 P30531 2/20 0.38
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 13/20 0.36
CYP1A2 P05177 12/20 0.36
ALDH1A1 P00352 11/20 0.36
USP2 O75604 10/20 0.36
TSHR P16473 10/20 0.36
HSD17B10 Q99714 7/20 0.36
CYP2C9 P11712 7/20 0.36
CASP1 P29466 6/20 0.36
CASP7 P55210 6/20 0.36
HIF1A Q16665 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPK1 P28482 2/20 0.35
LMNA P02545 2/20 0.35
CYP2C19 P33261 6/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL21878147 0.89 TP53 (0.37) SLC6A11SLC6A1TP53SMN1; SMN2CYP3A4
SCHEMBL21878061 0.87 TSHR (0.38) SLC6A11SLC6A1TP53SMN1; SMN2CYP3A4
SCHEMBL21878125 0.86 CYP3A4 (0.39) SLC6A1TP53SMN1; SMN2CYP3A4CYP1A2
SCHEMBL21877979 0.86 TP53 (0.39) SLC6A11SLC6A1TP53SMN1; SMN2CYP3A4
SCHEMBL21877995 0.83 CYP1A2 (0.43) TP53SMN1; SMN2CYP3A4CYP1A2ALDH1A1
SCHEMBL30524691 0.80 CYP3A4 (0.36) SMN1; SMN2CYP3A4CYP1A2ALDH1A1USP2
SCHEMBL21878014 0.79 TP53 (0.39) TP53SMN1; SMN2CYP3A4CYP1A2TSHR
SCHEMBL21878012 0.78 CYP1A2 (0.42) TP53SMN1; SMN2CYP3A4CYP1A2ALDH1A1
SCHEMBL21878113 0.77 HPGDS (0.40) SLC6A11SLC6A1TP53SMN1; SMN2LMNA
SCHEMBL21878062 0.76 RAB9A (0.43) TP53SMN1; SMN2CYP3A4CYP1A2TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3873484-B1 NOVEL STING AGONISTS VENENUM BIODESIGN LLC (US) 2023-08-23 EP disclosed
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 SLC6A11 3755/4885SLC6A1 3981/4885TP53 1417/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS SLC6A11 3450/4885SLC6A1 3674/4885TP53 1117/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS SLC6A11 3627/4885SLC6A1 3851/4885TP53 1286/4885

“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.