SCHEMBL5569735

SCHEMBL5569735

Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](Cc2cccnc2)C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 1/20 0.48
NAMPT P43490 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADAMTS4 O75173 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
TBXAS1 P24557 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
SCHEMBL5572244 1.00 HSD17B10 (0.52) HSD17B10KDM4ELMNARAB9ANAMPT
SCHEMBL5572753 0.88 SMN1; SMN2 (0.55) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL5496683 0.88 LMNA (0.61) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL5496678 0.88 LMNA (0.61) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL30699961 0.82 CA1 (0.54) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL5573302 0.81 KMT2A (0.47) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL5572738 0.81 GAA (0.59) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL7319084 0.80 TDP1 (0.51) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL5569684 0.79 STAT3 (0.50) HSD17B10KDM4ELMNARAB9ASMN1; SMN2
SCHEMBL5573170 0.78 TACR1 (0.54) HSD17B10KDM4ELMNARAB9ASMN1; 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 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 HSD17B10 1960/4885KDM4E 2913/4885LMNA 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.