SCHEMBL23958622

SCHEMBL23958622

COC(=O)c1ccc(NC(=O)OC(C)(C)C)c(OC2CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX2 P34913 1/20 0.41
PDE4D Q08499 6/20 0.41
PDE4B Q07343 5/20 0.41
PDE4A P27815 4/20 0.41
PDE4C Q08493 4/20 0.41
PYGL P06737 1/20 0.40
HSP90AB1 P08238 1/20 0.39
TOP2A P11388 1/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
BRD4 O60885 1/20 0.39
PLK1 P53350 1/20 0.39
BRDT Q58F21 1/20 0.39

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
SCHEMBL11959263 0.87 MAPT (0.50) KDM4EALDH1A1PYGL
SCHEMBL31104508 0.87 MAPT (0.50) KDM4EALDH1A1PYGL
SCHEMBL29189474 0.83 PDE5A (0.46) PDE5AKDM4EALDH1A1EPHX2PDE4D
SCHEMBL30007095 0.82 AAK1 (0.49) PDE4B
SCHEMBL23958628 0.82 AAK1 (0.49) PDE4B
SCHEMBL23143981 0.82 CREBBP (0.47) KDM4EALDH1A1
SCHEMBL16318447 0.80 KDM4E (0.52) KDM4EALDH1A1
SCHEMBL11959264 0.80 KDM4E (0.42) KDM4EALDH1A1PYGLTOP2A
SCHEMBL25032352 0.80 PDE4B (0.37) PDE4BHSP90AB1TOP2A
SCHEMBL30832694 0.80 PDE4B (0.37) PDE4BHSP90AB1TOP2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
US-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 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 (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-20230203004-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES ACE2, SIRT7, ACE PDE5A 2272/4885KDM4E 3733/4885ALDH1A1 1630/4885

“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.