SCHEMBL5569701

SCHEMBL5569701

CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ ADAMTS5 Q9UNA0 1/20 0.42
▸ KEAP1 Q14145 2/20 0.42
▸ NFE2L2 Q16236 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CNR2 P34972 2/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ NR3C1 P04150 1/20 0.41

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
SCHEMBL5573149 0.94 KEAP1 (0.45) POLBKMT2AALDH1A1HPGDHTT
SCHEMBL7374001 0.93 POLB (0.44) POLBKMT2AALDH1A1KEAP1NFE2L2
SCHEMBL5572238 0.90 ADAMTS5 (0.49) POLBKMT2AALDH1A1SMN1; SMN2CA12
SCHEMBL5574110 0.81 CTSL (0.47) ALDH1A1HPGDSMN1; SMN2CA12CA9
SCHEMBL5573197 0.81 KMT2A (0.47) POLBKMT2AALDH1A1HPGDHTT
SCHEMBL5573192 0.81 KMT2A (0.47) POLBKMT2AALDH1A1HPGDHTT
SCHEMBL5569704 0.80 ADAMTS5 (0.52) POLBKMT2AALDH1A1SMN1; SMN2ADAMTS5
SCHEMBL30699947 0.79 CA12 (0.49) POLBKMT2AALDH1A1HPGDHTT
SCHEMBL7370982 0.76 MMP8 (0.47) POLBKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5570745 0.76 PKM (0.46) ALDH1A1CA12CA9ADAMTS5CYP3A4

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 POLB 3968/4885KMT2A 1871/4885ALDH1A1 322/4885

“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.

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