SCHEMBL5495377

SCHEMBL5495377

COC(=O)[C@H](Cc1ccncc1)NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
KDM4E B2RXH2 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.47
CNR2 P34972 1/20 0.46
PLAU P00749 1/20 0.46
PLAT P00750 1/20 0.46

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
SCHEMBL5495556 1.00 LMNA (0.59) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5496678 0.89 LMNA (0.61) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5496683 0.89 LMNA (0.61) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5572731 0.85 MAPK1 (0.48) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5574126 0.83 GAA (0.54) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5573170 0.81 TACR1 (0.54) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5572753 0.79 SMN1; SMN2 (0.55) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5572244 0.78 HSD17B10 (0.52) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL5569735 0.78 HSD17B10 (0.52) LMNAKDM4EHSD17B10MAPK1KMT2A
SCHEMBL30699961 0.78 CA1 (0.54) LMNAKDM4EHSD17B10MAPK1KMT2A

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-7288526-B2 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 US disclosed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 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 (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-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, IL4I1 LMNA 3858/4885KDM4E 2057/4885HSD17B10 3392/4885

“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.