SCHEMBL17440745

SCHEMBL17440745

CC(C)(C)[S@@+]([O-])N=C1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41

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
SCHEMBL17440743 1.00 GPR3 (0.41) GPR3
SCHEMBL8152542 0.98 GPR3 (0.39) GPR3
SCHEMBL2020045 0.95 GPR3 (0.41) GPR3
SCHEMBL19428099 0.95 GPR3 (0.41) GPR3
SCHEMBL17441018 0.95 GPR3 (0.41) GPR3
SCHEMBL31091548 0.80 GPR3 (0.37) GPR3
SCHEMBL15357241 0.80 GPR3 (0.37) GPR3
SCHEMBL8281426 0.80 GPR3 (0.37) GPR3
SCHEMBL13539997 0.79 KDM4E (0.37) GPR3
SCHEMBL18731611 0.79 GPR3 (0.36) GPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109219609-B Fused hexacyclic imidazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2022-02-01 CN disclosed
EP-3436456-B1 FUSED HEXACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-11-17 EP disclosed
US-10766906-B2 Fused hexacyclic imidazole derivatives as modulators of TNF activity UCB Biopharma SRL (BE) 2020-09-08 US disclosed
US-10766906-B2 Fused hexacyclic imidazole derivatives as modulators of TNF activity UCB Biopharma SRL (BE) 2020-09-08 US disclosed
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-10577367-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2020-03-03 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-20190248787-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2019-08-15 US disclosed
US-20190100526-A1 Fused Hexacyclic Imidazole Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2019-04-04 US disclosed
US-20190100526-A1 Fused Hexacyclic Imidazole Derivatives as Modulators of TNF Activity UCB BIOPHARMA SPRL (BE) 2019-04-04 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-10246456-B2 IRAK4 inhibiting agents BIOGEN MA INC. (US) 2019-04-02 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
US-20170204093-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. 2017-07-20 US disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 WO disclosed
WO-2016011390-A1 IRAK4 INHIBITING AGENTS BIOGEN MA INC. (US) 2016-01-21 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 (6 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-20190100526-A1 Fused Hexacyclic Imidazole Derivatives as Modulators of TNF Activity TNF, TNFRSF1A, NFKBIA GPR3 1760/4885
US-10246456-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 GPR3 2474/4885
US-10766906-B2 Fused hexacyclic imidazole derivatives as modulators of TNF activity TNF, TNFRSF1A, NFKBIA GPR3 2879/4885
US-20170204093-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 GPR3 2474/4885
US-20190248787-A1 IRAK4 INHIBITING AGENTS IRAK4, IRAK1, IRAK2 GPR3 2594/4885
US-10577367-B2 IRAK4 inhibiting agents IRAK4, IRAK1, IRAK2 GPR3 2594/4885

“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.