SCHEMBL30829631

SCHEMBL30829631

COc1ccc(C(=O)O)c2oc(CNC(=O)c3cnn4cccnc34)cc12

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 10/20 0.69
KDM4E B2RXH2 3/20 0.55
MAPT P10636 1/20 0.55
IRAK4 Q9NWZ3 6/20 0.52
HSD17B10 Q99714 2/20 0.51
PKM P14618 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL27185698 1.00 STING1 (0.69) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL29784368 0.93 STING1 (0.74) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL27185446 0.93 STING1 (0.74) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL27185751 0.90 STING1 (0.64) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL29784412 0.90 STING1 (0.64) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL29784464 0.89 STING1 (0.73) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL27185831 0.89 STING1 (0.73) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL29784456 0.88 STING1 (0.75) STING1KDM4EMAPTHSD17B10PKM
SCHEMBL29784561 0.88 STING1 (0.77) STING1KDM4EMAPTIRAK4HSD17B10
SCHEMBL27185840 0.88 STING1 (0.75) STING1KDM4EMAPTHSD17B10PKM

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20240109899-A1 BENZOFURAN COMPOUNDS AS STING AGONISTS STING1, MAVS, IRF3 STING1 1/4885KDM4E 2249/4885MAPT 4171/4885

“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.