SCHEMBL1898023

SCHEMBL1898023

CC(C)[N+](Cl)(POCCC#N)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34

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
SCHEMBL8452318 0.67 TSHR (0.31) TSHR
SCHEMBL24943254 0.65 TSHR (0.33) TSHR
SCHEMBL8706997 0.65 TSHR (0.30) TSHR
SCHEMBL1328556 0.65 TDP1 (0.31) TSHR
SCHEMBL28235551 0.65
SCHEMBL14390529 0.65
SCHEMBL7199463 0.65
SCHEMBL992741 0.64 TDP1 (0.33) TSHR
SCHEMBL9341152 0.64 HTT (0.33) TSHR
SCHEMBL497689 0.64 TSHR (0.32) TSHR

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 8 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
WO-2018198084-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS WITH TRICYCLIC NUCLEOBASES LUPIN LIMITED (IN) 2018-11-01 WO disclosed
US-20130052204-A1 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. 2013-02-28 US disclosed
EP-2501403-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE The Henry M. Jackson Foundation for the Advancement of Military Medicine, Inc. (US) 2012-09-26 EP disclosed
WO-2011060379-A2 (POLY)-GLYCEROLPHOSPHATE-BASED ANTI-GRAM POSITIVE BACTERIAL VACCINE SNAPPER CLIFFORD M (US) 2011-05-19 WO 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 TSHR 1451/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS TSHR 1437/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS TSHR 1635/4885

“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.