SCHEMBL345431

SCHEMBL345431

CCC(F)(F)NCC(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.36
CTH P32929 1/20 0.34
EGLN1 Q9GZT9 2/20 0.34
ALDH1A1 P00352 4/20 0.32
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PTGS2 P35354 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LDHA P00338 1/20 0.32
SRR Q9GZT4 1/20 0.32
PLA2G2A P14555 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31

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
SCHEMBL345578 0.77 LDHA (0.33) CTHEGLN1LDHASRR
SCHEMBL14420949 0.74 FFAR3 (0.40) FFAR3CTHEGLN1ALDH1A1CYP2D6
SCHEMBL14308662 0.73
SCHEMBL7531541 0.72
SCHEMBL624753 0.72 EGLN1 (0.40) FFAR3CTHEGLN1ALDH1A1CYP2D6
SCHEMBL162904 0.72 DPP4 (0.40) FFAR3CTHEGLN1ALDH1A1CYP2D6
SCHEMBL2590837 0.70 FFAR3 (0.36) FFAR3CTHEGLN1ALDH1A1CYP2D6
SCHEMBL421124 0.70 ALDH1A1 (0.40) FFAR3CTHEGLN1ALDH1A1CYP2D6
SCHEMBL12334721 0.70 EGLN1 (0.39) FFAR3CTHEGLN1ALDH1A1SMN1; SMN2
SCHEMBL18509324 0.70 FFAR3 (0.32) FFAR3CTHEGLN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809498-B2 Pepstatin A derivatives FREIE UNIVERSITAET BERLIN (DE) 2014-08-19 US disclosed
EP-2283030-B1 PEPSTATIN A DERIVATIVES UNIV BERLIN FREIE (DE) 2013-10-23 EP disclosed
US-20120016103-A1 PEPSTATIN A DERIVATIVES FREIE UNIVERSITAET BERLIN 2012-01-19 US disclosed
EP-2283030-A1 PEPSTATIN A DERIVATIVES Freie Universität Berlin (DE) 2011-02-16 EP disclosed
WO-2009133188-A1 PEPSTATIN A DERIVATIVES FREIE UNIVERSITÄT BERLIN (DE) 2009-11-05 WO 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-20120016103-A1 PEPSTATIN A DERIVATIVES PEPD, ANPEP, VIP FFAR3 1474/4885CTH 3106/4885EGLN1 2738/4885

“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.