SCHEMBL4092283

SCHEMBL4092283

Cc1ccc(-c2cccc(CO)c2)cc1CNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 8/20 0.52
ACMSD Q8TDX5 1/20 0.49
CHRM3 P20309 1/20 0.45
ADAMTS4 O75173 1/20 0.44
DHODH Q02127 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
AOC3 Q16853 2/20 0.43
PRKCI P41743 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL12053395 0.85 HDAC1 (0.45) PTGER4ACMSDCHRM3MTNR1AMTNR1B
SCHEMBL16396868 0.84 AOC3 (0.58) PTGER4ACMSDADAMTS4AOC3PRKCI
SCHEMBL20530661 0.82 FFAR1 (0.48) PTGER4ACMSDAOC3CYP1A2CYP2D6
SCHEMBL3398564 0.79 CHRM3 (0.41) PTGER4CHRM3DHODHNPC1RAB9A
SCHEMBL3404714 0.78 PRKCI (0.45) PTGER4ACMSDADAMTS4DHODHPRKCI
SCHEMBL1362411 0.76 LMNA (0.47) PTGER4ACMSDADAMTS4DHODHAOC3
SCHEMBL3368486 0.75 TSHR (0.59) AOC3CYP1A2CYP2D6CYP2C9TSHR
SCHEMBL3401510 0.75 PRKCI (0.55) PTGER4ACMSDADAMTS4DHODHPRKCI
SCHEMBL21049906 0.75 AKR1C3 (0.53) PTGER4ACMSDNPC1RAB9AAOC3
SCHEMBL3400376 0.75 MEN1 (0.50) MTNR1AMTNR1BALDH1A1

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 8 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
WO-2009100168-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100170-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100169-A1 DUAL PHARMACOPHORES - PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
WO-2009100167-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO disclosed
US-20090203657-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009100166-A1 DUAL PHARMACOPHORES-PDE4-MUSCARINIC ANTAGONISTICS GLAXO GROUP LIMITED (GB) 2009-08-13 WO 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 PTGER4 82/4885ACMSD 2421/4885CHRM3 8/4885
US-20090197871-A1 Dual Pharmacophores - PDE4-Muscarinic Antagonistics PDE4B, PDE4A, CHRM4 PTGER4 23/4885ACMSD 2611/4885CHRM3 5/4885

“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.