SCHEMBL4600558

SCHEMBL4600558

NCCCCC(NC(=O)CNCc1ccc(C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.45
FOLH1 Q04609 7/20 0.43
ALB P02768 1/20 0.42
MCHR1 Q99705 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FPGS Q05932 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
CPB2 Q96IY4 1/20 0.41
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
FPR2 P25090 1/20 0.39

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
SCHEMBL4600554 1.00 TGM2 (0.45) TGM2FOLH1ALBMCHR1CA12
SCHEMBL4599885 0.88 TGM2 (0.48) TGM2FOLH1
SCHEMBL4599882 0.88 TGM2 (0.48) TGM2FOLH1
SCHEMBL4598877 0.87 FOLH1 (0.57) TGM2FOLH1SLC6A5CPB2
SCHEMBL4598870 0.87 FOLH1 (0.57) TGM2FOLH1SLC6A5CPB2
SCHEMBL4600727 0.85 SLC6A5 (0.46) TGM2FOLH1CA1CA2SLC6A5
SCHEMBL4600366 0.85 FOLH1 (0.57) FOLH1CA1CA2SLC6A5CPB2
SCHEMBL4600730 0.85 SLC6A5 (0.46) TGM2FOLH1CA1CA2SLC6A5
SCHEMBL4600358 0.85 FOLH1 (0.57) FOLH1CA1CA2SLC6A5CPB2
SCHEMBL4888941 0.84 CA1 (0.45) TGM2FOLH1ALBCA12CA1

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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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 (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 TGM2 393/4885FOLH1 771/4885ALB 674/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH TGM2 611/4885FOLH1 1486/4885ALB 3803/4885

“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.