Sugi Predict

Sugi Predict / Compounds / SCHEMBL21877939

SCHEMBL21877939

SCHEMBL21877939

CC(C)(C)[Si](C)(C)OCC(F)(F)Cn1c(CO)nc2cncnc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 10/20 0.34
▸ CYP3A4 P08684 8/20 0.34
▸ HSD17B10 Q99714 7/20 0.34
▸ CYP2C19 P33261 6/20 0.34
▸ CYP2C9 P11712 5/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ USP2 O75604 3/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ GLA P06280 2/20 0.31
▸ CLK4 Q9HAZ1 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ CASP7 P55210 2/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL21878030 0.86 CYP1A2 (0.33) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21878110 0.82 CYP1A2 (0.44) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21878005 0.80 RAB9A (0.40) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21877997 0.77 CYP1A2 (0.36) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21878033 0.73 CCNA2 (0.41) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21878032 0.73 CCNA2 (0.41) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21878046 0.68 CYP1A2 (0.42) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21878037 0.67 CYP1A2 (0.38) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9
SCHEMBL21878114 0.66 LMNA (0.37) CYP1A2CYP3A4HSD17B10CYP2C9ALDH1A1
SCHEMBL7833453 0.66 CYP1A2 (0.46) CYP1A2CYP3A4HSD17B10CYP2C19CYP2C9

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 CYP1A2 3470/4885CYP3A4 3150/4885HSD17B10 4687/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS CYP1A2 3075/4885CYP3A4 2736/4885HSD17B10 4689/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS CYP1A2 3244/4885CYP3A4 3032/4885HSD17B10 4646/4885

“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.