SCHEMBL22399607

SCHEMBL22399607

CCCC(C)n1cnc(C(N)=O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ADORA1 P30542 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GLA P06280 1/20 0.35
EIF4E P06730 1/20 0.35
CYP3A4 P08684 1/20 0.35
TOP1 P11387 1/20 0.35
TSHR P16473 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SLC6A3 Q01959 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
OPRM1 P35372 2/20 0.34
MAPK1 P28482 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
SCHEMBL19861815 0.87 ACHE (0.38) ACHELMNASMN1; SMN2ADORA1ALDH1A1
SCHEMBL784347 0.80 ADORA1 (0.40) ACHELMNASMN1; SMN2ADORA1ALDH1A1
SCHEMBL25161951 0.78 MAPT (0.38) LMNAALDH1A1CYP3A4HTR2BSLC6A3
SCHEMBL11851306 0.77 LMNA (0.35) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL23633811 0.76 LMNA (0.34) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL18977796 0.76 LMNA (0.35) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL30587581 0.71 TDP1 (0.42) HSD17B10LMNAALDH1A1CYP3A4MAPK1
SCHEMBL30587540 0.71 TDP1 (0.42) HSD17B10LMNAALDH1A1CYP3A4MAPK1
SCHEMBL18750762 0.70 LMNA (0.37) LMNASMN1; SMN2ADORA1ALDH1A1GLA
SCHEMBL13761403 0.70 LMNA (0.36) LMNASMN1; SMN2ADORA1ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. (US) 2022-06-09 US disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 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 (2 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-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 ACHE 4458/4885HSD17B10 4544/4885GAA 1036/4885
US-20220175811-A1 STABLE FORMULATIONS OF CYCLIC DINUCLEOTIDE STING AGONIST COMPOUNDS AND METHODS OF USE THEREOF STING1, CGAS, IRF3 ACHE 4486/4885HSD17B10 4118/4885GAA 1477/4885

“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.