SCHEMBL30789204

SCHEMBL30789204

COCCOc1cc(Br)c2c(c1)CCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ NR1H2 P55055 2/20 0.45
▸ GCK P35557 1/20 0.44
▸ MAPT P10636 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GPR119 Q8TDV5 3/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ RET P07949 1/20 0.39
▸ P2RX3 P56373 1/20 0.39
▸ ADORA1 P30542 2/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ ABHD6 Q9BV23 2/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ADAM17 P78536 1/20 0.38

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
SCHEMBL30156709 1.00 ESR2 (0.46) ESR2NR1H2GCKMAPTKDM4E
SCHEMBL17463409 0.89 ESR2 (0.46) ESR2NR1H2MAPTKDM4EGPR119
SCHEMBL30156757 0.88 ESR2 (0.45) ESR2NR1H2MAPTKDM4EGPR119
SCHEMBL24913916 0.88 ESR2 (0.45) ESR2NR1H2MAPTKDM4EGPR119
SCHEMBL31013875 0.88 ESR2 (0.52) ESR2NR1H2MAPTKDM4EP2RX3
SCHEMBL29168677 0.85 DRD1 (0.40) ESR2MAPTKDM4EDRD1DRD3
SCHEMBL30789194 0.85 GCK (0.45) ESR2NR1H2GCKMAPTKDM4E
SCHEMBL24914089 0.85 GCK (0.45) ESR2NR1H2GCKMAPTKDM4E
SCHEMBL21687177 0.82 ESR2 (0.48) ESR2NR1H2GCKGPR119P2RX3
SCHEMBL31014016 0.82 ESR2 (0.49) ESR2NR1H2MAPTKDM4EADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240293392-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-09-05 — — US disclosed
CN-117693507-A Inhibitor compounds 奈奥芬莱有限公司 2024-03-12 — — CN 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-20240293392-A1 INHIBITOR COMPOUNDS MSH2, PMS2, MSH6 ESR2 568/4885NR1H2 2027/4885GCK 3911/4885

“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.

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