SCHEMBL2887392

SCHEMBL2887392

COc1ccc(C(=O)Nc2c(C)cccc2C)cc1OC(F)F

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.66
PDE4A P27815 3/20 0.66
PDE4B Q07343 3/20 0.66
PDE4C Q08493 3/20 0.66
PKM P14618 1/20 0.62
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 3/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.50
S1PR4 O95977 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL2887769 0.95 PDE4D (0.63) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL2889838 0.87 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL30084822 0.87 PDE4D (0.56) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL2882309 0.86 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL2887510 0.82 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL30084839 0.81 NPC1 (0.59) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL2889399 0.81 PDE4D (0.64) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL2887760 0.81 NPC1 (0.59) PDE4DPDE4APDE4BPDE4CPKM
SCHEMBL30084831 0.80 PDE4D (0.80) PDE4DPDE4APDE4BPDE4C
SCHEMBL7334292 0.80 PDE4D (1.00) PDE4DPDE4APDE4BPDE4C

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
US-20230338345-A1 DRUG COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-10-26 US disclosed
EP-4140480-A1 DRUG COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-03-01 EP disclosed
WO-2022156727-A1 COMPOSITION AND METHOD FOR TREATING TUMORS 浙江养生堂天然药物研究所有限公司 2022-07-28 WO 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
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
US-5712298-A Fluoroalkoxy-substituted benzamides and their use as cyclic nucleotide phosphodiesterase inhibitors BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1998-01-27 US 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 (2 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 PDE4D 4/4885PDE4A 2/4885PDE4B 1/4885
US-20230338345-A1 DRUG COMBINATION AND USE THEREOF PDE4B, PDE4A, ADH4 PDE4D 15/4885PDE4A 2/4885PDE4B 1/4885

“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.