SCHEMBL19805927

SCHEMBL19805927

COc1ccc(Cn2cc(-c3cc(C)nc([S+]([O-])CCC(C)OCc4ccccc4F)n3)cc(F)c2=O)cc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRK2 P25098 1/20 0.35
▸ P2RX7 Q99572 9/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ DRD4 P21917 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL30526075 1.00 GRK2 (0.35) GRK2P2RX7ALDH1A1DRD4SIGMAR1
SCHEMBL19805924 0.86 SMN1; SMN2 (0.37) GRK2P2RX7ALDH1A1DRD4SIGMAR1
SCHEMBL20985705 0.85 SDHB (0.40) GRK2P2RX7ALDH1A1DRD4SIGMAR1
SCHEMBL20985672 0.77 SDHB (0.37) GRK2P2RX7DRD4SIGMAR1ROCK2
SCHEMBL30526073 0.77 SDHB (0.37) GRK2P2RX7DRD4SIGMAR1ROCK2
SCHEMBL29976343 0.76 SMN1; SMN2 (0.33) GRK2P2RX7ALDH1A1DRD4SIGMAR1
SCHEMBL19806011 0.76 SMN1; SMN2 (0.33) GRK2P2RX7ALDH1A1DRD4SIGMAR1
SCHEMBL29976175 0.75 MAPK14 (0.32) P2RX7
SCHEMBL19805939 0.75 MAPK14 (0.32) P2RX7
SCHEMBL23897356 0.74 GRK2 (0.43) GRK2P2RX7ALDH1A1ROCK2SMN1; SMN2

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 13 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
US-11725000-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-08-15 — — US disclosed
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
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 — — US disclosed
US-20210309647-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-10-07 — — US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 — — US disclosed
US-11034680-B2 Apoptosis inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-06-15 — — US disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
EP-3484854-B1 APOPTOSIS INHIBITORS NAT INSTITUTE OF BIOLOGICAL SCIENCES BEIJING (CN) 2021-01-20 — — EP disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — US disclosed
US-20190152960-A1 Apoptosis Inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-05-23 — — US disclosed
WO-2018014802-A1 APOPTOSIS INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-01-25 — — 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 (4 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-20190152960-A1 Apoptosis Inhibitors BAX, SDHA, SDHB GRK2 3248/4885P2RX7 4784/4885ALDH1A1 550/4885
US-11725000-B2 Apoptosis inhibitors BAX, SDHA, SDHB GRK2 3248/4885P2RX7 4784/4885ALDH1A1 550/4885
US-11034680-B2 Apoptosis inhibitors BAX, SDHA, SDHB GRK2 3248/4885P2RX7 4784/4885ALDH1A1 550/4885
US-20210309647-A1 Apoptosis Inhibitors BAX, SDHA, SDHB GRK2 3248/4885P2RX7 4784/4885ALDH1A1 550/4885

“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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