SCHEMBL5495539

SCHEMBL5495539

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)Cc2c[nH]c3ccccc23)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.51
ITGB1 P05556 2/20 0.49
ITGA4 P13612 1/20 0.49
ITGA2 P17301 1/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.45
PTGS2 P35354 1/20 0.45

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
SCHEMBL5499031 0.88 LMNA (0.57) FKBP1AITGB1ITGA4ITGA2LMNA
SCHEMBL7069023 0.86 ALOX5 (0.59) ITGB1ITGA4ITGA2LMNASMN1; SMN2
SCHEMBL5494189 0.83 FKBP1A (0.67) FKBP1AITGB1ITGA4ITGA2LMNA
SCHEMBL5495567 0.80 FKBP1A (0.59) FKBP1AITGB1ITGA4ITGA2LMNA
SCHEMBL5497980 0.80 FKBP1A (0.58) FKBP1AITGB1ITGA4ITGA2LMNA
SCHEMBL5492899 0.79 ACHE (0.47) FKBP1AITGB1ITGA4ITGA2LMNA
SCHEMBL5491585 0.79 FKBP1A (0.53) FKBP1AITGB1ITGA4ITGA2LMNA
SCHEMBL5496177 0.79 FKBP1A (0.56) FKBP1AITGB1ITGA4ITGA2LMNA
SCHEMBL5487316 0.78 FKBP1A (0.61) FKBP1AITGB1ITGA4ITGA2RAB9A
SCHEMBL5492997 0.78 FKBP1A (0.57) FKBP1AITGB1ITGA4ITGA2LMNA

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-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
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 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 FKBP1A 4722/4885ITGB1 169/4885ITGA4 23/4885

“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.