SCHEMBL4095202

SCHEMBL4095202

Cc1c(CNC(=O)O)cccc1-c1cccc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.45
CD274 Q9NZQ7 16/20 0.42
FFAR1 O14842 1/20 0.40
PDCD1 Q15116 4/20 0.40
TACR1 P25103 1/20 0.39

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
SCHEMBL4098806 0.91 CHRM3 (0.41) EPHX1CD274FFAR1PDCD1TACR1
SCHEMBL12053405 0.90 EPHX1 (0.44) EPHX1CD274PDCD1
SCHEMBL4088107 0.89 PDCD1 (0.41) EPHX1CD274FFAR1PDCD1TACR1
SCHEMBL3424220 0.84 CD274 (0.35) EPHX1CD274FFAR1PDCD1
SCHEMBL3398564 0.84 CHRM3 (0.41) FFAR1TACR1
SCHEMBL1362144 0.82 CD274 (0.41) EPHX1CD274FFAR1PDCD1
SCHEMBL12053383 0.81 BRD4 (0.43) EPHX1TACR1
SCHEMBL4103863 0.81 TACR1 (0.44) FFAR1TACR1
SCHEMBL4095280 0.79 TACR1 (0.44) FFAR1TACR1
SCHEMBL3399261 0.78 BRD4 (0.43) EPHX1CD274PDCD1

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-8084449-B2 Dual pharmacophores—PDE4-muscarinic antagonistics GLAXO GROUP LIMITED (GB) 2011-12-27 US disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-06 US 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-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4A, PDE1A, PDE4B EPHX1 750/4885CD274 3354/4885FFAR1 532/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 EPHX1 537/4885CD274 1066/4885FFAR1 514/4885

“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.