SCHEMBL3877963

SCHEMBL3877963

CCc1nnc(Cl)c2oc3c(OC(F)F)ccc(C(=O)O)c3c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.35
PDE4D Q08499 4/20 0.35
PDE4B Q07343 4/20 0.35
PDE4C Q08493 3/20 0.35
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRB2 P47870 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRE P78334 1/20 0.32
GABRA6 Q16445 1/20 0.32
GABRG1 Q8N1C3 1/20 0.32
GABRG3 Q99928 1/20 0.32
GABRQ Q9UN88 1/20 0.32

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
SCHEMBL3868904 0.81 PDE4B (0.37) PDE4APDE4DPDE4BPDE4CGABRP
SCHEMBL15016100 0.80 PDE4D (0.33) PDE4APDE4DPDE4BPDE4CGABRP
SCHEMBL3867667 0.78 MAPT (0.34) PDE4APDE4DPDE4BPDE4CGABRP
SCHEMBL5506611 0.76 PDE4A (0.40) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL73654 0.73 PDE4D (0.41) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL4574940 0.70 NPC1 (0.36) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL73771 0.70 PDE4D (0.40) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL73967 0.70 PDE4B (0.42) PDE4APDE4DPDE4BPDE4CMEN1
SCHEMBL73417 0.69 PDE4D (0.38) PDE4APDE4DPDE4BPDE4C
SCHEMBL4574337 0.67 PDE4D (0.38) PDE4APDE4DPDE4BPDE4CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831227-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS SA (CH) 2013-06-19 EP claimed
US-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-10 US claimed

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-20090306082-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PTGER4, NOX4, PDE4A PDE4A 3/4885PDE4D 11/4885PDE4B 6/4885

“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.