SCHEMBL8249607

SCHEMBL8249607

CC(C)C[C@H](N[C@@H](Cc1ccccc1OCc1cccc(Cl)c1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A5 Q15758 1/20 0.52
ACE2 Q9BYF1 5/20 0.50
ACE P12821 4/20 0.50
MME P08473 1/20 0.50
CPA1 P15085 1/20 0.50
ENPP2 Q13822 1/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CARM1 Q86X55 2/20 0.45
PRMT1 Q99873 2/20 0.45
MAPK1 P28482 1/20 0.45
CFD P00746 1/20 0.45
F11 P03951 1/20 0.45
TPSB2 P20231 1/20 0.45
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43

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
SCHEMBL5869481 1.00 SLC1A5 (0.52) SLC1A5ACE2ACEMMECPA1
SCHEMBL5870306 0.83 NR4A2 (0.53) ACE2ACEMMECPA1MAPK1
SCHEMBL5870499 0.83 NR4A2 (0.53) ACE2ACEMMECPA1MAPK1
SCHEMBL5870305 0.83 NR4A2 (0.53) ACE2ACEMMECPA1MAPK1
SCHEMBL8249919 0.80 MAPT (0.43) ACE2ACEMMECPA1PDCD1
SCHEMBL5870095 0.80 MAPT (0.43) ACE2ACEMMECPA1PDCD1
SCHEMBL8250493 0.79 ACE2 (0.48) ACE2ACEMMECPA1MAPK1
SCHEMBL5869280 0.79 ACE2 (0.48) ACE2ACEMMECPA1MAPK1
SCHEMBL20514021 0.78 SLC1A5 (0.71) SLC1A5ENPP2CARM1PRMT1CFD
SCHEMBL18342613 0.78 SLC1A5 (0.71) SLC1A5ENPP2CARM1PRMT1CFD

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 2 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

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 SLC1A5 2131/4885ACE2 2/4885ACE 1/4885

“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.