SCHEMBL5869895

SCHEMBL5869895

CC(C)C[C@H](N[C@@H](Cc1csc(-c2ccc(F)c(Cl)c2)n1)C(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 7/20 0.45
SHMT2 P34897 4/20 0.45
CNR2 P34972 1/20 0.44
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
GRN P28799 1/20 0.40
SORT1 Q99523 1/20 0.40
EIF4E P06730 2/20 0.40
ACE2 Q9BYF1 2/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL5869889 1.00 SHMT1 (0.45) SHMT1SHMT2CNR2LMNATP53
SCHEMBL5869890 1.00 SHMT1 (0.45) SHMT1SHMT2CNR2LMNATP53
SCHEMBL6834297 0.95 SHMT1 (0.43) SHMT1SHMT2CNR2LMNATP53
SCHEMBL7424643 0.87 CTSK (0.39) SHMT1SHMT2CNR2LMNATP53
SCHEMBL7424634 0.86 TP53 (0.38) SHMT1SHMT2CNR2LMNATP53
SCHEMBL5869959 0.86 ACE2 (0.48) SHMT1SHMT2GRNSORT1ACE2
SCHEMBL5869952 0.86 ACE2 (0.48) SHMT1SHMT2GRNSORT1ACE2
SCHEMBL6927461 0.86 ACE2 (0.48) SHMT1SHMT2GRNSORT1ACE2
SCHEMBL5869503 0.86 ACE2 (0.48) SHMT1SHMT2GRNSORT1ACE2
SCHEMBL5869868 0.84 SHMT1 (0.60) SHMT1SHMT2SMN1; SMN2KDM4EGRN

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-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

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 SHMT1 1885/4885SHMT2 1220/4885CNR2 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.