SCHEMBL5573302

SCHEMBL5573302

Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2ccc(I)cc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
ITGB1 P05556 2/20 0.46
ITGA4 P13612 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA2 P00918 1/20 0.44
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
SCHEMBL30699961 0.90 CA1 (0.54) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL5572753 0.90 SMN1; SMN2 (0.55) KMT2AMAPK1LMNAKDM4EHSD17B10
SCHEMBL7319084 0.87 TDP1 (0.51) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL5496678 0.87 LMNA (0.61) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL5496683 0.87 LMNA (0.61) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL5569684 0.86 STAT3 (0.50) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL3858034 0.85 MAPK1 (0.48) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL7325748 0.81 MAPK1 (0.46) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL7325742 0.81 MAPK1 (0.46) KMT2AMAPK1LMNAKDM4ETDP1
SCHEMBL5572244 0.81 HSD17B10 (0.52) KMT2AMAPK1LMNAKDM4ETDP1

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-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US claimed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US claimed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006433-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-7166580-B2 Compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-01-23 US disclosed
US-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN MA INC. 2003-09-04 US disclosed
US-6559127-B1 Intercellular adhesion mediated by VLA-4 and other cell surface receptors is associated with a number of inflammatory responses ATHENA NEUROSCIENCES, INC. 2003-05-06 US disclosed
EP-1001973-A1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006433-A1 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-20030166575-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 KMT2A 1871/4885MAPK1 1402/4885LMNA 3701/4885

“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.