SCHEMBL21877946

SCHEMBL21877946

[CH2]Cn1c(COC(c2ccccc2)(c2ccc(OC)cc2)c2ccc(OC)cc2)nc2cnc(C)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 11/20 0.39
CYP3A4 P08684 11/20 0.39
CYP2C19 P33261 4/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
CYP2D6 P10635 3/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 11/20 0.38
TSHR P16473 8/20 0.38
USP2 O75604 8/20 0.36
CASP1 P29466 6/20 0.36
CASP7 P55210 6/20 0.36
HSD17B10 Q99714 6/20 0.36
CYP2C9 P11712 5/20 0.36
HIF1A Q16665 3/20 0.35
POLB P06746 1/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 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
SCHEMBL21877979 0.88 TP53 (0.39) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL21878042 0.86 CYP1A2 (0.43) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL21878147 0.86 TP53 (0.37) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL21878103 0.84 TSHR (0.41) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL21878055 0.79 HPGDS (0.41) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL21878041 0.79 TP53 (0.42) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL21877989 0.78 CYP1A2 (0.42) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL21878002 0.78 TYMP (0.50) TP53SMN1; SMN2RAB9AMAPTNPC1
SCHEMBL21878125 0.77 CYP3A4 (0.39) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19
SCHEMBL30524681 0.76 CYP3A4 (0.37) TP53SMN1; SMN2CYP1A2CYP3A4CYP2C19

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 TP53 1417/4885SMN1; SMN2 1607/4885CYP1A2 3470/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS TP53 1117/4885SMN1; SMN2 1544/4885CYP1A2 3075/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS TP53 1286/4885SMN1; SMN2 1613/4885CYP1A2 3244/4885

“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.