SCHEMBL5494356

SCHEMBL5494356

C=CCOC(=O)NCCC(C(=O)O)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
TGM2 P21980 1/20 0.38
PKM P14618 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
MMP2 P08253 2/20 0.36
MMP3 P08254 2/20 0.36
MMP9 P14780 2/20 0.36
MMP14 P50281 2/20 0.36
MMP1 P03956 1/20 0.36
MMP7 P09237 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL5489459 0.94 KMT2A (0.38) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL5494011 0.82 TGM2 (0.49) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL5491608 0.73 FKBP1A (0.49) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL31744253 0.68 ALDH1A1 (0.42) LMNAKDM4ESMN1; SMN2PKMALDH1A1
SCHEMBL11844069 0.67 NPSR1 (0.59) KMT2ALMNAHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4771204 0.66 KEAP1 (0.66) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL17919266 0.66 MAPT (0.41) KMT2ALMNAHSD17B10SMN1; SMN2PKM
SCHEMBL570868 0.65 KMT2A (0.60) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL10953009 0.65 KEAP1 (0.56) KMT2ALMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL5488881 0.65 ALDH1A1 (0.56) MAPK1KMT2ALMNAKDM4EHSD17B10

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 9 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 claimed
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 claimed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
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 MAPK1 3579/4885KMT2A 1963/4885LMNA 3858/4885

“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.