SCHEMBL4888941

SCHEMBL4888941

NCCCCC(NC(=O)CNc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
CA12 O43570 2/20 0.43
CA7 P43166 1/20 0.43
FPR2 P25090 1/20 0.43
CA9 Q16790 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
FOLH1 Q04609 1/20 0.42
TGM2 P21980 1/20 0.41
SLC15A2 Q16348 1/20 0.40
SLC7A5 Q01650 4/20 0.39
ALB P02768 1/20 0.39
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
SLC1A1 P43005 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
FFAR1 O14842 1/20 0.38

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
SCHEMBL4888928 1.00 CA1 (0.45) CA1CA2CA12CA7FPR2
SCHEMBL4889214 0.87 SMN1; SMN2 (0.51) TGM2SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL4889227 0.87 SMN1; SMN2 (0.51) TGM2SLC1A3SLC1A2SLC1A1SMN1; SMN2
SCHEMBL4599538 0.86 FOLH1 (0.49) CA1CA2SLC6A5FOLH1SLC15A2
SCHEMBL4599544 0.86 FOLH1 (0.49) CA1CA2SLC6A5FOLH1SLC15A2
SCHEMBL4598833 0.84 CA1 (0.47) CA1CA2CA12CA7SLC6A5
SCHEMBL4598827 0.84 CA1 (0.47) CA1CA2CA12CA7SLC6A5
SCHEMBL4600554 0.84 TGM2 (0.45) CA1CA2CA12FPR2CA9
SCHEMBL4600558 0.84 TGM2 (0.45) CA1CA2CA12FPR2CA9
SCHEMBL4599000 0.83 FPR2 (0.62) CA1CA2CA12FPR2CA9

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 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 (2 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CA1 4464/4885CA2 4735/4885CA12 3040/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CA1 4583/4885CA2 4185/4885CA12 4051/4885

“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.