SCHEMBL2736690

SCHEMBL2736690

CC(=O)SC[C@@H](C)C(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.59
MME P08473 2/20 0.59
PGR P06401 1/20 0.46
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
HTR2A P28223 1/20 0.46
HRH1 P35367 1/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2736691 1.00 ACE (0.59) ACEMMEPGRADRA2AADRA2B
SCHEMBL8821887 0.83 PGR (0.50) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10619759 0.78 MMP2 (0.49) ACEMMEPGRADRA2AADRA2B
Bromobenzene SCHEMBL8220105 0.76 ACE (0.56) ACEMME
SCHEMBL14665678 0.75 PGR (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2736655 0.75 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL337276 0.75 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL10489465 0.75 PGR (0.58) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2736656 0.75 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2128162 0.75 PGR (0.58) PGRADRA2AADRA2BHTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088924-B2 Pyridone derivatives having a binding activity to the cannabinoid type 2 receptor SHIONOGI & CO., LTD. (JP) 2012-01-03 US disclosed
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter TADA YUKIO 2010-04-01 US disclosed
US-7652141-B2 Immunosuppressants, analgesics, antiinflammatory agents SHIONOGI & CO., LTD. (JP) 2010-01-26 US disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 US disclosed
US-20070027144-A1 Novel use of cannabinoid receptor agonist SHIONOGI & CO., LTD. (JP) 2007-02-01 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 (3 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-20070027144-A1 Novel use of cannabinoid receptor agonist CNR2, CNR1, OPRM1 ACE 3881/4885MME 3707/4885PGR 167/4885
US-20100081686-A1 Pyridone derivatives having a binding activity to the cannabinoid type 2 recepter CNR2, CNR1, NPY2R ACE 2761/4885MME 4296/4885PGR 38/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 ACE 445/4885MME 149/4885PGR 646/4885

“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.