SCHEMBL6963380

SCHEMBL6963380

COc1ccc(Cn2c(C(F)(F)F)nc3c(OC)ccc(C(=O)O)c32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
FABP4 P15090 1/20 0.44
CHRM1 P11229 2/20 0.41
CCR2 P41597 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PDE5A O76074 1/20 0.39
CCR9 P51686 1/20 0.39
MDM2 Q00987 1/20 0.38

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
SCHEMBL6961914 0.83 MAPT (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL6952049 0.82 PDE4D (0.71) PDE4APDE4BPDE4CPDE4D
SCHEMBL6962818 0.82 PDE4B (0.48) PDE4APDE4BPDE4CPDE4DFABP4
SCHEMBL8601846 0.80 PPARG (0.48) FABP4CHRM1CCR2KDM4EALDH1A1
SCHEMBL6963169 0.78 PDE4B (0.63) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL25188092 0.71 CHRM1 (0.46) CHRM1CCR2ALDH1A1GAANPC1
SCHEMBL8600049 0.70 KDM4E (0.51) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3356344 0.69 MEN1 (0.52) CHRM1MEN1KMT2ANPC1RAB9A
SCHEMBL8598294 0.69 DCTPP1 (0.40) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8602720 0.68 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DKDM4E

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 PDE4A 9/4885PDE4B 12/4885PDE4C 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.