SCHEMBL5496683

SCHEMBL5496683

Cc1ccc(S(=O)(=O)N(C)CC(=O)NC(Cc2ccncc2)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
KDM4E B2RXH2 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 2/20 0.53
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
RAB9A P51151 1/20 0.49
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL5496678 1.00 LMNA (0.61) LMNAKDM4EHSD17B10TDP1PKM
SCHEMBL5572753 0.90 SMN1; SMN2 (0.55) LMNAKDM4EHSD17B10SMN1; SMN2HTT
SCHEMBL5495556 0.89 LMNA (0.59) LMNAKDM4EHSD17B10TDP1PKM
SCHEMBL5495377 0.89 LMNA (0.59) LMNAKDM4EHSD17B10TDP1PKM
SCHEMBL30699961 0.88 CA1 (0.54) LMNAKDM4EHSD17B10TDP1SMN1; SMN2
SCHEMBL5569735 0.88 HSD17B10 (0.52) LMNAKDM4EHSD17B10TDP1SMN1; SMN2
SCHEMBL5572244 0.88 HSD17B10 (0.52) LMNAKDM4EHSD17B10TDP1SMN1; SMN2
SCHEMBL5573302 0.87 KMT2A (0.47) LMNAKDM4EHSD17B10TDP1SMN1; SMN2
SCHEMBL7319084 0.85 TDP1 (0.51) LMNAKDM4EHSD17B10TDP1SMN1; SMN2
SCHEMBL5569684 0.84 STAT3 (0.50) LMNAKDM4EHSD17B10TDP1SMN1; SMN2

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.