SCHEMBL29976336

SCHEMBL29976336

COc1ccc(Cn2cc(-c3cc(C(F)F)nc([S+](C)[O-])n3)ccc2=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SDHB P21912 12/20 0.46
▸ ROCK2 O75116 2/20 0.40
▸ GRK2 P25098 1/20 0.39
▸ TP53 P04637 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DBH P09172 1/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL20985623 1.00 SDHB (0.46) SDHBROCK2GRK2TP53MAPT
SCHEMBL29975895 0.93 SDHB (0.54) SDHBTP53MAPT
SCHEMBL20985681 0.93 SDHB (0.54) SDHBTP53MAPT
SCHEMBL20985644 0.90 SDHB (0.51) SDHB
SCHEMBL30526081 0.90 SDHB (0.51) SDHB
SCHEMBL26313233 0.85 SDHB (0.49) SDHBROCK2GRK2TP53MAPT
SCHEMBL26313133 0.84 SDHB (0.47) SDHBROCK2GRK2TP53MAPT
SCHEMBL20985679 0.83 SDHB (0.64) SDHBALDH1A1
SCHEMBL28910483 0.82 SDHB (0.38) SDHBROCK2GRK2
SCHEMBL23897426 0.81 SDHB (0.37) SDHBROCK2GRK2BRD4

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 SDHB 3/4885ROCK2 3715/4885GRK2 3248/4885

“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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