SCHEMBL5573330

SCHEMBL5573330

Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
TP53 P04637 2/20 0.55
PTGER1 P34995 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
KEAP1 Q14145 2/20 0.53
NFE2L2 Q16236 2/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA9 Q16790 1/20 0.51
THRB P10828 1/20 0.49
RORC P51449 1/20 0.49
OXTR P30559 1/20 0.49
ITGB1 P05556 1/20 0.49

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
SCHEMBL5572753 0.86 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL5574133 0.84 THRB (0.61) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL5570733 0.83 ALDH1A1 (0.60) MEN1KMT2ATP53SMN1; SMN2ALDH1A1
SCHEMBL5572403 0.79 ADAMTS5 (0.56) ALDH1A1CA12CA1CA9ITGB1
SCHEMBL5572404 0.79 ADAMTS5 (0.56) ALDH1A1CA12CA1CA9ITGB1
SCHEMBL5569698 0.79 PTGER1 (0.56) TP53PTGER1SMN1; SMN2LMNAMAPT
SCHEMBL5573144 0.78 PTGER1 (0.58) TP53PTGER1SMN1; SMN2KEAP1NFE2L2
SCHEMBL30699961 0.78 CA1 (0.54) MEN1KMT2ASMN1; SMN2LMNACA12
SCHEMBL5569734 0.77 CA1 (0.44) TP53SMN1; SMN2ALDH1A1HTTCA12
SCHEMBL5496683 0.77 LMNA (0.61) MEN1KMT2ATP53SMN1; SMN2ALDH1A1

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 MEN1 1749/4885KMT2A 1871/4885TP53 2366/4885

“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.