SCHEMBL6862744

SCHEMBL6862744

COCCOCCOCCOCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O.NC(=O)N1CCN(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 9/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
FOLH1 Q04609 4/20 0.41
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
CPB1 P15086 1/20 0.40
CPB2 Q96IY4 1/20 0.40
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP13 P45452 1/20 0.39
DPP8 Q6V1X1 2/20 0.37
DPP7 Q9UHL4 2/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL5038292 1.00 TGM2 (0.42) TGM2CA1CA2FOLH1MMP2
SCHEMBL5038323 0.89 TGM2 (0.42) TGM2CA1CA2FOLH1MMP2
SCHEMBL6862733 0.84 GLP1R (0.33) CA1CA2CPB2
SCHEMBL5038355 0.84 GLP1R (0.33) CA1CA2CPB2
SCHEMBL6139503 0.83 DPP8 (0.51) TGM2FOLH1MMP2MMP9MMP1
SCHEMBL5035365 0.82 TGM2 (0.45) TGM2CPB1CPB2DPP8DPP7
SCHEMBL6139547 0.76 FOLH1 (0.36) TGM2FOLH1
SCHEMBL6139383 0.76 TGM2 (0.42) TGM2CA1CA2FOLH1MMP2
SCHEMBL6139590 0.74 FOLH1 (0.37) TGM2FOLH1
SCHEMBL23451317 0.74 SIRT2 (0.58) TGM2FOLH1CPB1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6676928-B2 AS CONTRAST MEDIA FOR THE VISUALIZATION OF MALIGNANT TUMORS, LYMPH NODES AND NECROTIC TISSUE SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
US-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-04-17 US disclosed
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use SCHERING AG (DE) 2002-06-20 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-20030072713-A1 Use of perfluoroalkyl-containing metal complexes as contrast media in MR-imaging for visualization of plaque, tumors and necroses FABP3, PRF1, PTDSS1 TGM2 3578/4885CA1 205/4885CA2 494/4885
US-20020076380-A1 Perfluoroalkyl-containing complexes with polar radicals, process for their production and their use FFAR1, FGB, FCGRT TGM2 2391/4885CA1 1877/4885CA2 2923/4885

“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.