SCHEMBL21877958

SCHEMBL21877958

COc1ccc(C(OCc2nc3c(=O)[nH]cnc3n2CCO)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.51
MAPT P10636 2/20 0.45
PKM P14618 1/20 0.45
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA3 P0DMS8 1/20 0.37
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
XDH P47989 1/20 0.35
OPRK1 P41145 1/20 0.34
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL21878002 0.89 TYMP (0.50) TYMPMAPTPKMADORA3SLC6A1
SCHEMBL21877991 0.86 TYMP (0.45) TYMPMAPTPKMADORA3SLC6A1
SCHEMBL21878001 0.79 SMN1; SMN2 (0.38) TYMPMAPTMEN1KMT2ASLC6A1
SCHEMBL30524680 0.79 TYMP (0.40) TYMPMAPTPKMMEN1KMT2A
SCHEMBL21877995 0.79 CYP1A2 (0.43) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL21877979 0.79 TP53 (0.39) MAPTMEN1KMT2ASLC6A1SLC6A11
SCHEMBL21878192 0.78 TMIGD3 (0.41) ADORA3NPC1TP53
SCHEMBL21878125 0.77 CYP3A4 (0.39) MAPTMEN1KMT2ASLC6A1ALDH1A1
SCHEMBL21878014 0.75 TP53 (0.39) MAPTMEN1KMT2ANPC1TP53
SCHEMBL21878063 0.75 SLC6A11 (0.38) MAPTMEN1KMT2ASLC6A1SLC6A11

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 4 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

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 TYMP 2973/4885MAPT 1481/4885PKM 2914/4885
US-11161864-B2 Sting agonists STING1, IRF3, CGAS TYMP 3035/4885MAPT 1440/4885PKM 2644/4885
US-20220048936-A1 NOVEL STING AGONISTS STING1, IRF3, CGAS TYMP 2997/4885MAPT 1448/4885PKM 2866/4885

“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.