SCHEMBL7222907

SCHEMBL7222907

O=C(O)C(CO)NC(CCc1ccccc1)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.68
ACE P12821 10/20 0.61
CNR2 P34972 1/20 0.46
TSHR P16473 1/20 0.46
CPA1 P15085 1/20 0.46
ACE2 Q9BYF1 1/20 0.46
GGT1 P19440 1/20 0.46

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
SCHEMBL8255649 0.86 MME (0.68) MMEACECNR2TSHRGGT1
SCHEMBL8258027 0.86 MME (0.88) MMEACECPA1ACE2
SCHEMBL5870198 0.86 MME (0.88) MMEACECPA1ACE2
SCHEMBL5870226 0.85 MME (0.66) MMEACETSHR
SCHEMBL8257746 0.85 MME (0.66) MMEACECNR2TSHRCPA1
SCHEMBL8248703 0.85 MME (0.66) MMEACETSHR
SCHEMBL5869275 0.85 MME (0.66) MMEACECNR2TSHRCPA1
SCHEMBL6079620 0.84 MME (0.65) MMEACECNR2TSHRCPA1
SCHEMBL6079626 0.84 MME (0.65) MMEACECNR2TSHRCPA1
SCHEMBL21883789 0.83 MME (0.63) MMEACETSHR

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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 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 (1 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 MME 11/4885ACE 1/4885CNR2 127/4885

“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.