SCHEMBL5869974

SCHEMBL5869974

CC(C)C[C@H](N[C@@H](Cn1ccn(Cc2ccc(F)cc2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.42
ACE P12821 4/20 0.42
ANPEP P15144 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
GRN P28799 2/20 0.38
SORT1 Q99523 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CNR2 P34972 2/20 0.38
GAA P10253 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
FOLH1 Q04609 1/20 0.37
CTSL P07711 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5869981 1.00 ACE2 (0.42) ACE2ACEANPEPMAPTTHRB
SCHEMBL5869972 1.00 ACE2 (0.42) ACE2ACEANPEPMAPTTHRB
SCHEMBL5869775 0.90 ACE (0.47) ACE2ACE
SCHEMBL5869807 0.90 ACE (0.47) ACE2ACE
SCHEMBL5869803 0.90 ACE (0.47) ACE2ACE
SCHEMBL5870321 0.89 ANPEP (0.38) ACE2ANPEPMAPTCNR2FOLH1
SCHEMBL5870089 0.89 ANPEP (0.38) ACE2ANPEPMAPTCNR2FOLH1
SCHEMBL5870317 0.89 ANPEP (0.38) ACE2ANPEPMAPTCNR2FOLH1
SCHEMBL5869313 0.89 ACE2 (0.44) ACE2ACEGRNSORT1CTSL
SCHEMBL8250105 0.89 ACE2 (0.44) ACE2ACEGRNSORT1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
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-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 ACE2 2/4885ACE 1/4885ANPEP 118/4885

“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.