SCHEMBL29976343

SCHEMBL29976343

COc1ccc(Cn2cc(-c3nc([S+]([O-])CCC(OCc4ccccc4F)c4ccccc4)nc4sccc34)cc(F)c2=O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ GRK2 P25098 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ P2RX7 Q99572 4/20 0.32
▸ MAPT P10636 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ DRD4 P21917 1/20 0.30
▸ SIGMAR1 Q99720 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NTSR1 P30989 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ GPR55 Q9Y2T6 1/20 0.30

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
SCHEMBL19806011 1.00 SMN1; SMN2 (0.33) SMN1; SMN2GRK2TDP1P2RX7MAPT
SCHEMBL20985635 0.88 SDHB (0.33) SMN1; SMN2GRK2TDP1P2RX7MAPT
SCHEMBL21020463 0.82 — —
SCHEMBL30526073 0.78 SDHB (0.37) GRK2P2RX7DRD4SIGMAR1
SCHEMBL20985672 0.78 SDHB (0.37) GRK2P2RX7DRD4SIGMAR1
SCHEMBL19805927 0.76 GRK2 (0.35) SMN1; SMN2GRK2TDP1P2RX7DRD4
SCHEMBL30526075 0.76 GRK2 (0.35) SMN1; SMN2GRK2TDP1P2RX7DRD4
SCHEMBL23897355 0.76 PKM (0.41) SMN1; SMN2GRK2TDP1P2RX7MAPT
SCHEMBL21019816 0.76 MAPT (0.41) GRK2TDP1P2RX7MAPTPKM
SCHEMBL20985699 0.73 SDHB (0.36) GRK2P2RX7

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-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
CN-110023292-B Apoptosis inhibitors 北京生命科学研究所 2022-10-04 — — 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-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB SMN1; SMN2 1698/4885GRK2 3248/4885TDP1 1479/4885

“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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