SCHEMBL5499031

SCHEMBL5499031

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)NCCc2c[nH]c3ccccc23)C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
PKM P14618 1/20 0.54
MAPK1 P28482 1/20 0.54
TP53 P04637 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
BCHE P06276 2/20 0.50
ACHE P22303 2/20 0.50
FKBP1A P62942 1/20 0.50
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGA2 P17301 1/20 0.48
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5495539 0.88 FKBP1A (0.51) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL7069023 0.86 ALOX5 (0.59) LMNASMN1; SMN2ALDH1A1MAPTITGB1
SCHEMBL7448296 0.83 LMNA (0.50) LMNASMN1; SMN2MAPTMAPK1TP53
SCHEMBL5497978 0.82 FKBP1A (0.52) LMNASMN1; SMN2ALDH1A1MAPK1TP53
SCHEMBL5492997 0.81 FKBP1A (0.57) LMNASMN1; SMN2MAPK1TP53CASP1
SCHEMBL8269053 0.79 KMT2A (0.70) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL6709564 0.78 ITGA4 (0.57) MAPK1FKBP1AITGB1ITGA4ITGA2
SCHEMBL6710636 0.78 ITGA4 (0.57) MAPK1FKBP1AITGB1ITGA4ITGA2
SCHEMBL7069021 0.78 FKBP1A (0.68) ALDH1A1FKBP1AITGB1ITGA4ITGA2
SCHEMBL5496192 0.77 ITGA4 (0.56) MAPK1FKBP1AITGB1ITGA4ITGA2

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 LMNA 3858/4885SMN1; SMN2 2390/4885ALDH1A1 1219/4885

“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.