SCHEMBL21878005

SCHEMBL21878005

CC(C)(C)[Si](C)(C)OCCCn1c(CO)nc2cncnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TP53 P04637 2/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 10/20 0.40
CYP3A4 P08684 9/20 0.40
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 8/20 0.40
MAPK1 P28482 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP2C9 P11712 3/20 0.40
USP2 O75604 2/20 0.40
LMNA P02545 2/20 0.38
CASP1 P29466 3/20 0.36
CASP7 P55210 2/20 0.36
GLA P06280 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DUT P33316 1/20 0.36

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
SCHEMBL21878110 0.93 CYP1A2 (0.44) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL21878037 0.85 CYP1A2 (0.38) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL21877939 0.80 CYP1A2 (0.34) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL21878046 0.78 CYP1A2 (0.42) MEN1KMT2ACYP1A2CYP3A4ALDH1A1
SCHEMBL21878114 0.77 LMNA (0.37) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL21878032 0.75 CCNA2 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21878033 0.75 CCNA2 (0.41) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4
SCHEMBL21877942 0.75 TBXA2R (0.42) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL20775997 0.73 SMN1; SMN2 (0.64) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL21877941 0.73 LMNA (0.43) RAB9ASMN1; SMN2TP53NPC1MEN1

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 7 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
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-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
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 RAB9A 1267/4885SMN1; SMN2 1607/4885TP53 1417/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS RAB9A 1577/4885SMN1; SMN2 1544/4885TP53 1117/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS RAB9A 1381/4885SMN1; SMN2 1613/4885TP53 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.