SCHEMBL6047676

SCHEMBL6047676

NC(=O)NCCC[C@@](N)(C(=O)O)C(=O)C(N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
LTA4H P09960 1/20 0.41
MMP8 P22894 1/20 0.40
SLC15A1 P46059 1/20 0.40
TPH1 P17752 1/20 0.38
MMP2 P08253 2/20 0.38
CTSC P53634 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
SCHEMBL1711681 1.00 ALPI (0.44) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1711366 0.82 CTRB1 (0.45) MMP8
SCHEMBL1711436 0.82 CTRB1 (0.45) MMP8
SCHEMBL28022070 0.81 SLC7A5 (0.45) SLC7A5
SCHEMBL1711607 0.81 MMP8 (0.38) MMP8
SCHEMBL1711440 0.81 MMP8 (0.38) MMP8
SCHEMBL11199554 0.77 SLC7A5 (0.46) SLC7A5MMP2
SCHEMBL9190966 0.76 GNAI3 (0.37) SMN1; SMN2MMP2
SCHEMBL9189322 0.76 ALOX15 (0.41)
SCHEMBL1711578 0.76 SLC7A5 (0.39) SLC7A5ANPEPRNPEPDNPEPMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-03-09 US claimed
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor TANABE SEIYAKU CO., LTD. (JP) 2003-05-15 US claimed
CN-100372570-C Pharmaceutical compositions comprising polysaccharide conjugates for inhibiting the metastsis or preventing the recurrence of maligant tumor TANABE SEIYAKU CO (JP) 2008-03-05 CN disclosed
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-03-09 US disclosed
CN-1545423-A Pharmaceutical compositions comprising polysaccharide conjugates for inhibiting the metastsis or preventing the recurrence of maligant tumor ������ҩ��ʽ���� 2004-11-10 CN disclosed
EP-1418947-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSACCHARIDE CONJUGATES FOR INHIBITING THE METASTASIS OR PREVENTING THE RECURRENCE OF MALIGNANT TUMOR TANABE SEIYAKU CO., LTD. (JP) 2004-05-19 EP disclosed
US-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor TANABE SEIYAKU CO., LTD. (JP) 2003-05-15 US disclosed
WO-2003015826-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING POLYSACCHARIDE CONJUGATES FOR INHIBITING THE METASTSIS OR PREVENTING THE RECURRENCE OF MALIGANT TUMOR TANABE SEIYAKU CO., LTD. (JP) 2003-02-27 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-20030092608-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC ALPI 920/4885PKM 2086/4885PTGS1 349/4885
US-20060052288-A1 Pharmaceutical composition for inhibiting the metastasis or preventing the recurrence of malignant tumor CD44, MUC1, HGFAC ALPI 920/4885PKM 2086/4885PTGS1 349/4885

“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.