SCHEMBL18490602

SCHEMBL18490602

COc1ccc(C(OC[C@H]2S[C@@H](n3nnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](O)[C@@H]2F)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.38
PDE9A O76083 12/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
PDE5A O76074 5/20 0.32
PDE1B Q01064 5/20 0.32
PDE4D Q08499 5/20 0.32
PDE4A P27815 4/20 0.32
PDE4B Q07343 4/20 0.32
PDE4C Q08493 4/20 0.32
PDE7A Q13946 3/20 0.32
PDE10A Q9Y233 3/20 0.32
PDE2A O00408 1/20 0.32
PDE3A Q14432 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL18490491 0.94 TYMP (0.39) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL18490366 0.88 TYMP (0.47) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL18490263 0.88 TYMP (0.47) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL18490649 0.86 TYMP (0.46) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL22034345 0.86 TYMP (0.46) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL18490531 0.86 TYMP (0.46) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL27216206 0.86 TYMP (0.46) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL22034275 0.82 TYMP (0.41) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL18490399 0.81 TYMP (0.48) TYMPPDE9ASMN1; SMN2NPC1LMNA
SCHEMBL22034142 0.81 TYMP (0.42) TYMPPDE9ASMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334745-B1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME LLC (US) 2024-05-15 EP disclosed
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME LLC (US) 2022-09-27 US disclosed
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2021-07-08 US disclosed
EP-3727401-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-10-28 EP disclosed
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2020-09-08 US disclosed
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-10106574-B2 Cyclic di-nucleotide compounds as sting agonists MERCK SHARP & DOHME CORP. (US) 2018-10-23 US disclosed
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-30 US disclosed
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2018-08-23 US disclosed
EP-3334745-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS Merck Sharp & Dohme Corp. (US) 2018-06-20 EP disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 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 (8 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-10106574-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 1508/4885PDE9A 232/4885SMN1; SMN2 3075/4885
US-20180237469-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 1508/4885PDE9A 232/4885SMN1; SMN2 3075/4885
US-10766919-B2 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 1508/4885PDE9A 232/4885SMN1; SMN2 3075/4885
US-20180244712-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 1508/4885PDE9A 232/4885SMN1; SMN2 3075/4885
US-20210206796-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 2186/4885PDE9A 234/4885SMN1; SMN2 2942/4885
US-11453697-B1 Cyclic di-nucleotide compounds as sting agonists STING1, CGAS, IFNAR1 TYMP 1508/4885PDE9A 232/4885SMN1; SMN2 3075/4885
US-20170044206-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS STING1, CGAS, IFNAR1 TYMP 1508/4885PDE9A 232/4885SMN1; SMN2 3075/4885
US-10759825-B2 Cyclic di-nucleotide compounds as STING agonists STING1, CGAS, IFNAR1 TYMP 1508/4885PDE9A 232/4885SMN1; SMN2 3075/4885

“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.