SCHEMBL6962818

SCHEMBL6962818

CCCn1c(C(F)(F)F)nc2c(OC)ccc(C(=O)O)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 7/20 0.48
PDE4A P27815 5/20 0.48
PDE4C Q08493 5/20 0.48
PDE4D Q08499 5/20 0.48
PPARG P37231 2/20 0.42
PTGER4 P35408 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARA Q07869 1/20 0.35
CASR P41180 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
GNRHR P30968 1/20 0.34
FABP4 P15090 1/20 0.34

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
SCHEMBL6963169 0.84 PDE4B (0.63) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL6963380 0.82 PDE4A (0.45) PDE4BPDE4APDE4CPDE4DNPSR1
SCHEMBL6953585 0.82 PDE4A (0.40) PDE4BPDE4APDE4CPDE4DPPARG
SCHEMBL6958092 0.80 PDE4D (0.78) PDE4BPDE4APDE4CPDE4D
SCHEMBL6954581 0.75 TLR8 (0.54) NPSR1KDM4EMEN1LMNAKMT2A
SCHEMBL2845003 0.71 PDE4B (0.40) PDE4BPDE4APDE4CPDE4DMEN1
SCHEMBL6957343 0.69 PDE4A (0.63) PDE4BPDE4APDE4CPDE4DKDM4E
SCHEMBL8562791 0.68 PIK3C2B (0.41) PPARGKDM4ELMNAMAPT
SCHEMBL2839681 0.67 PDE4A (0.41) PDE4BPDE4APDE4CPDE4DCASR
SCHEMBL2671425 0.66 PDE4B (0.63) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944616-B1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LTD (GB) 2003-06-04 EP disclosed
US-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use DYKE HAZEL JOAN (GB) 2002-07-18 US disclosed
US-6353010-B1 ENZYME INHIBITORS TUMOR NECROSIS FACTOR AND PHOSPHODIESTERASE FOR ANTIINFLAMMATORY AGENTS DARWIN DISCOVERY, LTD. (GB) 2002-03-05 US disclosed
EP-0944616-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE Darwin Discovery Limited (GB) 1999-09-29 EP disclosed
WO-1998022460-A1 BICYCLIC ARYL CARBOXAMIDES AND THEIR THERAPEUTIC USE DARWIN DISCOVERY LIMITED (GB) 1998-05-28 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-20020094987-A1 Bicyclic aryl carboxamides and their therapeutic use PDE3B, PDE3A, PDE2A PDE4B 12/4885PDE4A 9/4885PDE4C 16/4885

“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.