SCHEMBL19743752

SCHEMBL19743752

COC(=O)/C=C(\Oc1ccc(OC)cc1F)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
CPS1 P31327 2/20 0.39
MAPK1 P28482 3/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL19744269 1.00 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL21187112 0.90 LMNA (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL19744050 0.90 LMNA (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL29986171 0.90 LMNA (0.44) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL19743723 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL19744159 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL9684084 0.78 SMN1; SMN2 (0.49) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL9684093 0.78 SMN1; SMN2 (0.49) LMNAKMT2AMEN1HPGDMAPT
SCHEMBL19743750 0.78 LMNA (0.42) LMNAKMT2AMEN1HPGDCPS1
SCHEMBL19744219 0.78 LMNA (0.42) LMNAKMT2AMEN1HPGDCPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11485720-B2 Anti-infective agents UNIVERSITY OF DUNDEE (GB) 2022-11-01 US disclosed
EP-3472141-B1 ANTI-INFECTIVE AGENTS UNIV DUNDEE (GB) 2022-10-05 EP disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20210101877-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2021-04-08 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
US-20190225592-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2019-07-25 US disclosed
EP-3472141-A1 ANTI-INFECTIVE AGENTS University Of Dundee (GB) 2019-04-24 EP disclosed
WO-2017221002-A1 ANTI-INFECTIVE AGENTS UNIVERSITY OF DUNDEE (GB) 2017-12-28 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 (3 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-11485720-B2 Anti-infective agents C1R, RRS1, ARG1 PDE4A 2551/4885PDE4B 2342/4885PDE4C 2746/4885
US-20210101877-A1 ANTI-INFECTIVE AGENTS C1R, RRS1, ARG1 PDE4A 2551/4885PDE4B 2342/4885PDE4C 2746/4885
US-20190225592-A1 ANTI-INFECTIVE AGENTS C1R, ARG1, MSR1 PDE4A 2483/4885PDE4B 2206/4885PDE4C 2672/4885

“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.