SCHEMBL2744222

SCHEMBL2744222

O=C(O)[C@@H]1C[C@@H](Oc2nccc3ccc(Br)cc23)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
GRM4 Q14833 4/20 0.32
IRAK4 Q9NWZ3 3/20 0.32
SLC22A12 Q96S37 1/20 0.31
AGTR2 P50052 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL13433609 0.87 MCL1 (0.38) HCRTR1HCRTR2
SCHEMBL3359689 0.86 HCRTR1 (0.35) PLGPLAUPLATHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL1068215 0.86 PLG (0.36) PLGPLAUPLATHCRTR1HCRTR2
Hydrochloric Acid SCHEMBL3359708 0.86 PLG (0.36) PLGPLAUPLATHCRTR1HCRTR2
SCHEMBL2743957 0.85 HCRTR1 (0.35) HCRTR1HCRTR2IRAK4AGTR2
SCHEMBL4615376 0.83 IRAK4 (0.48) IRAK4
SCHEMBL4301154 0.83 APAF1 (0.39) HCRTR1HCRTR2IRAK4
SCHEMBL25342628 0.80 HCRTR1 (0.46) HCRTR1HCRTR2AGTR2
SCHEMBL3502900 0.79 RXFP1 (0.35) HCRTR1HCRTR2AGTR2NPSR1
SCHEMBL16418964 0.78 P2RX3 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027144-B1 MACROCYCLIC COMPOUNDS AS ANTIVIRAL AGENTS MSD ITALIA SRL (IT) 2015-04-29 EP disclosed
US-8314062-B2 Macrocyclic compounds as antiviral agents INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2012-11-20 US disclosed
US-8178520-B2 Macrocyclic compounds as antiviral agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2012-05-15 US disclosed
US-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-12-17 US disclosed
US-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-10-15 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-20090312241-A1 Macrocyclic Compounds as Antiviral Agents ZC3HAV1, ZC3HAV1L, HAVCR2 PLG 4289/4885PLAU 3555/4885PLAT 3263/4885
US-20090258891-A1 Macrocyclic Compounds As Antiviral Agents ZC3HAV1, HAVCR2, ZC3HAV1L PLG 4486/4885PLAU 3986/4885PLAT 3597/4885

“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.