SCHEMBL4095280

SCHEMBL4095280

CC(C)(C)[Si](C)(C)OCc1cccc(-c2cc(F)cc(CNC(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.44
ENPP2 Q13822 1/20 0.44
AURKA O14965 1/20 0.41
PTGER2 P43116 7/20 0.40
SRC P12931 2/20 0.38
GRM2 Q14416 1/20 0.38
FFAR1 O14842 1/20 0.38
AOC3 Q16853 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
DHODH Q02127 1/20 0.37

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
SCHEMBL4103863 0.89 TACR1 (0.44) TACR1PTGER2FFAR1AOC3DHODH
SCHEMBL12053374 0.89 TACR1 (0.41) TACR1ENPP2AURKAPTGER2GRM2
SCHEMBL4093359 0.86 MAPT (0.42) TACR1AURKAPTGER2
SCHEMBL4098806 0.82 CHRM3 (0.41) TACR1PTGER2FFAR1
SCHEMBL3398564 0.82 CHRM3 (0.41) TACR1PTGER2FFAR1AOC3DHODH
SCHEMBL1363777 0.81 GRM2 (0.37) TACR1ENPP2GRM2FFAR1DHODH
SCHEMBL3404871 0.81 CTSA (0.37) TACR1ENPP2PTGER2GRM2FFAR1
SCHEMBL12140837 0.79 BRD4 (0.41) TACR1PTGER2
SCHEMBL4095202 0.79 EPHX1 (0.45) TACR1FFAR1
SCHEMBL4088107 0.76 PDCD1 (0.41) TACR1FFAR1

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 TACR1 128/4885ENPP2 939/4885AURKA 2207/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 TACR1 140/4885ENPP2 530/4885AURKA 1974/4885

“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.