SCHEMBL5570733

SCHEMBL5570733

Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TP53 P04637 4/20 0.59
THRB P10828 2/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA9 Q16790 1/20 0.57
CNR2 P34972 1/20 0.57
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
BACE1 P56817 1/20 0.48

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
SCHEMBL5574133 0.89 THRB (0.61) ALDH1A1MEN1KMT2ATHRBCA12
SCHEMBL5569737 0.89 CA12 (0.50) ALDH1A1MEN1KMT2ATP53THRB
SCHEMBL5572753 0.84 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2ACA12CA1
SCHEMBL5573330 0.83 MEN1 (0.58) ALDH1A1MEN1KMT2ATP53THRB
SCHEMBL5569686 0.80 MEN1 (0.51) ALDH1A1MEN1KMT2ATP53THRB
SCHEMBL22469193 0.80 CNR2 (0.72) ALDH1A1MEN1KMT2ATP53THRB
SCHEMBL5572730 0.80 MAPT (0.60) ALDH1A1MEN1KMT2ATP53THRB
SCHEMBL30699961 0.76 CA1 (0.54) MEN1KMT2ACA12CA1CA9
SCHEMBL5569734 0.75 CA1 (0.44) ALDH1A1TP53THRBCA12CA1
SCHEMBL5496683 0.75 LMNA (0.61) ALDH1A1MEN1KMT2ATP53LMNA

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 ALDH1A1 322/4885MEN1 1749/4885KMT2A 1871/4885

“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.