SCHEMBL4701753

SCHEMBL4701753

Cc1ccc2c(C(=O)O)ccc(OC(F)F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
PDE4A P27815 2/20 0.43
PDE4C Q08493 2/20 0.43
PDE4D Q08499 2/20 0.43
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4A O75164 4/20 0.37
CAMKK2 Q96RR4 1/20 0.36
KMT2A Q03164 3/20 0.36
PKM P14618 2/20 0.36
MEN1 O00255 2/20 0.36
ABCC4 O15439 1/20 0.36
LMNA P02545 1/20 0.36
PTGS1 P23219 1/20 0.36
HTT P42858 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TEAD4 Q15561 1/20 0.35

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
SCHEMBL3899046 0.82 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7257920 0.81 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DPDE10A
SCHEMBL4698112 0.77 PDE4D (0.77) PDE4BPDE4APDE4CPDE4D
SCHEMBL4701309 0.77 MBOAT4 (0.36) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL4699755 0.76 KMT2A (0.44) KDM4ERAB9AKMT2APKMMEN1
SCHEMBL4700871 0.76 KDM4E (0.57) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL3901573 0.76 KMT2A (0.49) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL5796131 0.75 NPC1 (0.47) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL7432930 0.75 PDE4A (0.62) PDE4BPDE4APDE4CPDE4D
SCHEMBL12170264 0.74 KDM4A (0.61) KDM4ERAB9AKDM4AKMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045845-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY Darwin Discovery Limited (GB) 2000-10-25 EP claimed
WO-2000026208-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2000-05-11 WO claimed
EP-0952832-B1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LTD (GB) 2008-08-27 EP disclosed
US-6642254-B2 Administering compounds, e.g., 8-methoxy-2-trifluoromethylquinoline-5-carboxylic acid (3,5-dichloro-1-oxypyridin-4-yl)amide for therapy of disease state that is capable of being modulated by inhibition of phosphodiesterase DARWIN DISCOVERY, LTD. (GB) 2003-11-04 US disclosed
US-20020183358-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2002-12-05 US disclosed
US-20020115558-A1 CHROMIUM-BASED CATALYST COMPOSITION FOR PRODUCING CONJUGATED DIENE POLYMERS BRIDGESTONE CORP. 2002-08-22 US disclosed
US-6410559-B2 3,5-DISUBSTITUTED-(OXYPYRIDINE-4-YL)AMIDE DERIVATIVES USED AS PHOSPHODIESTERASE IV OR TUMOR NECROSIS FACTOR INHIBITOR TO TREAT INFLAMMATORY DISEASE OR AUTOIMMUNE DISEASE DARWIN DISCOVERY, LTD. (GB) 2002-06-25 US disclosed
US-20010025049-A1 Heterocyclic compounds and their therapeutic use DYKE HAZEL JOAN (GB) 2001-09-27 US disclosed
US-6262070-B1 E.G., 8-METHOXY-2-TRIFLUOROMETHYLQUINOLINE-5-CARBOXYLIC ACID(3,5-DICHLORO-1-OXYPYRIDIN-4-YL)AMIDE; TREATMENT OF CHRONIC OBSTRUCTIVE AIRWAYS DISEASE DARWIN DISCOVERY LTD. (GB) 2001-07-17 US disclosed
EP-1045845-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY Darwin Discovery Limited (GB) 2000-10-25 EP disclosed
WO-2000026208-A1 N-OXIDES OF HETEROCYCLIC COMPOUNDS WITH TNF AND PDE-IV INHIBITING ACTIVITY DARWIN DISCOVERY LIMITED (GB) 2000-05-11 WO disclosed
EP-0952832-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS Darwin Discovery Limited (GB) 1999-11-03 EP disclosed
US-5804588-A TREATING DISEASES THAT ARE MODULATED BY INHIBITION OF PHOSPHODIESTERASE IV OR TUMOUR NECROSIS FACTOR CHIROSCIENCE LIMITED (GB) 1998-09-08 US disclosed
WO-1997044036-A1 QUINOLINE CARBOXAMIDES AS TNF INHIBITORS AND AS PDE-IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 1997-11-27 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-20010025049-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 PDE4B 2623/4885PDE4A 2696/4885PDE4C 3170/4885
US-20020183358-A1 Heterocyclic compounds and their therapeutic use CBR1, CBR3, CYC1 PDE4B 2623/4885PDE4A 2696/4885PDE4C 3170/4885

“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.