SCHEMBL2954077

SCHEMBL2954077

NCc1ccc(OC(F)F)c(OCC2CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.54
PDE4D Q08499 13/20 0.54
PDE4A P27815 12/20 0.54
PDE4C Q08493 12/20 0.54
ABCB11 O95342 1/20 0.47
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44

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
SCHEMBL29044734 0.86 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL28163432 0.86 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2961023 0.86 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7475124 0.86 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL18971899 0.86 PDE4B (0.57) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5038747 0.83 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL5038816 0.83 PDE4B (0.55) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL1157286 0.82 PDE4B (0.56) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL7421380 0.82 PDE4B (0.51) PDE4BPDE4DPDE4APDE4CABCB11
Hydrochloric Acid SCHEMBL31345245 0.81 PDE4B (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750009-B2 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-06 US disclosed
US-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-01 US disclosed
WO-1993015044-A1 N-BENZYLOXAMIC ACID, OXAMATE, AND OXAMIDE DERIVATIVES AND THEIR USE AS TNF AND PDE IV INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-08-05 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-20060116373-A1 Substituted pteridines for the treatment of inflammatory diseases LTC4S, TLR5, LTB4R2 PDE4B 1709/4885PDE4D 2722/4885PDE4A 1428/4885

“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.