SCHEMBL21943236

SCHEMBL21943236

CCOC(=O)CCCOc1cc(CSC)cc(NO)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.41
▸ LTA4H P09960 5/20 0.40
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ P2RY12 Q9H244 1/20 0.40
▸ CYSLTR2 Q9NS75 3/20 0.38
▸ CYSLTR1 Q9Y271 3/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ FAAH O00519 1/20 0.36

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
SCHEMBL18732228 0.85 BRD4 (0.43) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL18732391 0.81 PDE3B (0.41) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL18738709 0.80 BRD4 (0.41) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL17164338 0.79 MAPT (0.43) BRD4LTA4HCYSLTR2CYSLTR1PDK2
SCHEMBL18732229 0.75 BRD4 (0.42) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL23811986 0.73 BRD4 (0.36) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL4389091 0.72 BRD4 (0.53) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL13490815 0.70 BRD4 (0.47) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL29198000 0.69 BRD4 (0.51) BRD4LTA4HPDE3BPDE3AP2RY12
SCHEMBL15399905 0.68 BRD4 (0.50) BRD4LTA4HPDE3BPDE3AP2RY12

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 7 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
US-11691986-B2 PTEFB inhibiting macrocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2023-07-04 — — US disclosed
US-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2022-09-08 — — US disclosed
US-11254690-B2 PTEFb inhibiting macrocyclic compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-02-22 — — US disclosed
EP-3601253-B1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AG (DE) 2021-09-15 — — EP disclosed
EP-3359544-B1 NOVEL MODIFIED MACROCYCLIC COMPOUNDS Bayer Pharma AG (DE) 2020-08-12 — — EP disclosed
US-20200123174-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-04-23 — — US 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-20220281892-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB BRD4 1194/4885LTA4H 1984/4885PDE3B 561/4885
US-11254690-B2 PTEFb inhibiting macrocyclic compounds PCLAF, PPIB, RHEB BRD4 1395/4885LTA4H 2085/4885PDE3B 465/4885
US-20200123174-A1 NOVEL PTEFB INHIBITING MACROCYCLIC COMPOUNDS PCLAF, PKD1, RHEB BRD4 1194/4885LTA4H 1984/4885PDE3B 561/4885
US-11691986-B2 PTEFB inhibiting macrocyclic compounds PCLAF, PPIB, RHEB BRD4 1395/4885LTA4H 2085/4885PDE3B 465/4885

“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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