SCHEMBL5573170

SCHEMBL5573170

Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.54
POLB P06746 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ACE P12821 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
CTSL P07711 1/20 0.47
MBTPS1 Q14703 1/20 0.47
LMNA P02545 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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 0.88 SMN1; SMN2 (0.55) POLBSMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL5573144 0.85 PTGER1 (0.58) TACR1POLBSMN1; SMN2LMNA
SCHEMBL30699961 0.82 CA1 (0.54) POLBSMN1; SMN2MAPK1KMT2AACE
SCHEMBL5495377 0.81 LMNA (0.59) SMN1; SMN2MAPK1KMT2AALDH1A1HTT
SCHEMBL5495556 0.81 LMNA (0.59) SMN1; SMN2MAPK1KMT2AALDH1A1HTT
SCHEMBL5572730 0.79 MAPT (0.60) POLBKMT2AALDH1A1HTTLMNA
SCHEMBL12757428 0.79 POLB (0.47) POLBSMN1; SMN2MAPK1ALDH1A1HTT
SCHEMBL5572731 0.79 MAPK1 (0.48) SMN1; SMN2MAPK1KMT2ALMNAKDM4E
SCHEMBL5496683 0.79 LMNA (0.61) POLBSMN1; SMN2MAPK1KMT2AALDH1A1
SCHEMBL5496678 0.79 LMNA (0.61) POLBSMN1; SMN2MAPK1KMT2AALDH1A1

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 TACR1 1171/4885POLB 3968/4885SMN1; SMN2 1933/4885

“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.