SCHEMBL7253252

SCHEMBL7253252

CCCc1cnc(N2C[C@H](SC(c3ccccc3)(c3ccccc3)c3ccccc3)C[C@H]2COCc2cc(F)c(F)cc2F)nc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.42
ACE P12821 1/20 0.42
GPR119 Q8TDV5 2/20 0.32
CYP3A4 P08684 1/20 0.31
KCNH2 Q12809 1/20 0.31
KIF11 P52732 1/20 0.31
PARP1 P09874 1/20 0.30

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
SCHEMBL7143400 1.00 ECE1 (0.42) ECE1ACEGPR119CYP3A4KCNH2
SCHEMBL7137583 0.88 ECE1 (0.37) ECE1ACEKCNH2
SCHEMBL7246017 0.88 ECE1 (0.37) ECE1ACEKCNH2
SCHEMBL7146330 0.88 ECE1 (0.37) ECE1
SCHEMBL7146332 0.88 ECE1 (0.37) ECE1
SCHEMBL7146444 0.88 ECE1 (0.39) ECE1
SCHEMBL7253112 0.88 ECE1 (0.39) ECE1
SCHEMBL7251928 0.84 ECE1 (0.35) ECE1GPR119KCNH2
SCHEMBL7137870 0.84 ECE1 (0.35) ECE1GPR119KCNH2
SCHEMBL7246798 0.84 ECE1 (0.36) ECE1

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-6660738-B2 Such as (3R,5S)-1-pyrimidin-2-yl-5-(2,4,5-trifluoro-benzyloxymethyl)-pyrrolidine-3 -thiol trifluoro-acetate useful as inhibitors of metalloproteases for treating diseases associated with vasoconstriction HOFFMANN-LA ROCHE INC. 2003-12-09 US disclosed
US-20020055632-A1 Pyrrolidine derivatives F. HOFFMAN-LA ROCHE AG (CH) 2002-05-09 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-20020055632-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 ECE1 4/4885ACE 85/4885GPR119 2807/4885

“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.