SCHEMBL4881757

SCHEMBL4881757

COC(=O)c1cccc2c1nc(CNC(=O)OCc1ccccc1)n2C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.44
MAPT P10636 2/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
KCNA5 P22460 5/20 0.42
TNKS O95271 2/20 0.41
TNKS2 Q9H2K2 2/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PLAU P00749 1/20 0.39

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
SCHEMBL29784473 0.95 MAPT (0.42) STING1MAPTCYP3A4TSHRKCNA5
SCHEMBL29784444 0.89 MAPT (0.41) STING1MAPTCYP3A4TSHRKCNA5
SCHEMBL4881735 0.84 CYP3A4 (0.45) MAPTCYP3A4TSHRKCNA5TNKS
SCHEMBL22119014 0.77 HTT (0.45) STING1MAPTPARP1KDM4EALDH1A1
SCHEMBL27185423 0.76 PARP1 (0.45) STING1MAPTTSHRPARP1KDM4E
SCHEMBL29784480 0.76 PARP1 (0.45) STING1MAPTTSHRPARP1KDM4E
SCHEMBL4887144 0.76 RIPK1 (0.47) MAPTCYP3A4KCNA5TNKSTNKS2
SCHEMBL4887610 0.75 BACE1 (0.51) MAPT
SCHEMBL2381850 0.73 KCNA5 (0.53) MAPTKCNA5KDM4EALDH1A1GAA
SCHEMBL27185875 0.72 TNKS (0.48) MAPTCYP3A4KCNA5TNKSTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-04 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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 (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-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 STING1 327/4885MAPT 3251/4885CYP3A4 3349/4885
US-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 STING1 1/4885MAPT 4171/4885CYP3A4 1629/4885

“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.