SCHEMBL22332691

SCHEMBL22332691

CCOC(=O)CCCOc1cc(C[S+](C)[O-])cc(N=O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.40
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ P2RY12 Q9H244 1/20 0.39
▸ PTPN1 P18031 1/20 0.37
▸ LTA4H P09960 5/20 0.36
▸ CYSLTR2 Q9NS75 3/20 0.36
▸ CYSLTR1 Q9Y271 3/20 0.36
▸ PDK2 Q15119 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ CYP4Z1 Q86W10 1/20 0.34
▸ CYP4F11 Q9HBI6 1/20 0.34
▸ CYP4F12 Q9HCS2 1/20 0.34

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
SCHEMBL18732391 0.84 PDE3B (0.41) BRD4PDE3BPDE3AP2RY12LTA4H
SCHEMBL25748409 0.81 BRD4 (0.41) BRD4PDE3BPDE3AP2RY12PTPN1
SCHEMBL29397620 0.81 MAPT (0.43) BRD4PDE3BPDE3AP2RY12L3MBTL1
SCHEMBL25748413 0.72 BRD4 (0.37) BRD4PDE3BPDE3AP2RY12PTPN1
SCHEMBL4389091 0.70 BRD4 (0.53) BRD4PDE3BPDE3AP2RY12LTA4H
SCHEMBL13490815 0.69 BRD4 (0.47) BRD4PDE3BPDE3AP2RY12PTPN1
SCHEMBL29198000 0.68 BRD4 (0.51) BRD4PDE3BPDE3AP2RY12LTA4H
SCHEMBL5842449 0.67 KDM4E (0.55) BRD4PDE3BPDE3AP2RY12PTPN1
SCHEMBL18732228 0.67 BRD4 (0.43) BRD4PDE3BPDE3AP2RY12LTA4H
SCHEMBL20521342 0.67 MEN1 (0.39) PDE3BPDE3AP2RY12L3MBTL1MAPT

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-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 — — US disclosed
EP-3359544-B1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS Bayer Pharma AG (DE) 2020-08-12 — — EP 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-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB BRD4 1395/4885PDE3B 465/4885PDE3A 1032/4885

“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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