SCHEMBL2885525

SCHEMBL2885525

O=C(Nc1c(Cl)cncc1Cl)c1ccc(OC(F)F)c(OCC2CCC2)c1

nearest known ligand 0.93

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.93
PDE4D Q08499 18/20 0.93
PDE4A P27815 7/20 0.93
PDE4C Q08493 7/20 0.93
ABCB11 O95342 1/20 0.93

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
SCHEMBL30084825 1.00 PDE4B (0.93) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL19158 0.96 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29349467 0.96 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL18095182 0.96 PDE4B (1.00) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29033058 0.95 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL28150332 0.95 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29039838 0.95 PDE4B (0.98) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL20677818 0.94 PDE4B (0.96) PDE4BPDE4DPDE4APDE4CABCB11
Roflumilast SCHEMBL29191360 0.94 PDE4B (0.96) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2887750 0.92 PDE4B (0.92) PDE4BPDE4DPDE4APDE4CABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2024-09-26 US disclosed
EP-4282413-A1 COMPOSITION AND METHOD FOR TREATING TUMORS NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-11-29 EP disclosed
CN-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed
CN-115397411-A Pharmaceutical combination and use thereof 浙江养生堂天然药物研究所有限公司 2022-11-25 CN disclosed
WO-2021213455-A1 DRUG COMBINATION AND USE THEREOF 浙江养生堂天然药物研究所有限公司 (CN) 2021-10-28 WO disclosed
US-7776893-B2 Use of PDE4 inhibitors for the treatment of diabetes mellitus NYCOMED GMBH (DE) 2010-08-17 US disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
EP-0706513-B1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEM FAB (DE) 2002-05-15 EP disclosed
EP-0706513-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1996-04-17 EP disclosed
WO-1995001338-A1 FLUOROALKOXY-SUBSTITUTED BENZAMIDES AND THEIR USE AS CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-01-12 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-20240316015-A1 COMPOSITION AND METHOD FOR TREATING TUMORS PDE4B, PDE4A, PDE4C PDE4B 1/4885PDE4D 4/4885PDE4A 2/4885

“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.