SCHEMBL5936742

SCHEMBL5936742

CCC(F)(F)C(CC1CCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
LTA4H P09960 1/20 0.32
CPN1 P15169 2/20 0.30
CPB2 Q96IY4 2/20 0.30
ANPEP P15144 1/20 0.30
APP P05067 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CTSK P43235 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL5936757 0.97 LTA4H (0.35) SLC1A3SLC1A2SLC1A1LTA4HCTSK
SCHEMBL5936761 0.95 LTA4H (0.37) SLC1A3SLC1A2SLC1A1LTA4HCTSK
SCHEMBL5936845 0.93 MAPT (0.32) CPN1CPB2ANPEPCTSK
SCHEMBL13543011 0.78 SLC1A3 (0.36) SLC1A3SLC1A2SLC1A1LTA4HCPN1
SCHEMBL1246701 0.75 LTA4H (0.37) SLC1A3SLC1A2SLC1A1LTA4HCTSK
SCHEMBL13543015 0.74 LTA4H (0.38) SLC1A3SLC1A2SLC1A1LTA4HCPB2
SCHEMBL5273660 0.73 CTSK (0.39) SLC1A3SLC1A2SLC1A1LTA4HCPB2
SCHEMBL28221463 0.73 CYP2D6 (0.34) SLC1A3SLC1A2SLC1A1
SCHEMBL13423682 0.73 LTA4H (0.40) SLC1A3SLC1A2SLC1A1LTA4HCPB2
SCHEMBL5936759 0.70 CHRM1 (0.44) SLC1A3SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060223888-A1 Valproic acid analogues and pharmaceutical composition thereof THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2006-10-05 US claimed

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-20060223888-A1 Valproic acid analogues and pharmaceutical composition thereof MALT1, HDAC11, GABRA6 SLC1A3 470/4885SLC1A2 356/4885SLC1A1 549/4885

“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.