SCHEMBL6709476

SCHEMBL6709476

CCOC(=O)[C@H](Cc1ccc(NC(C)=O)cc1)N(C(=O)[C@H]1NC(C)(C)CS1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
TP53 P04637 3/20 0.46
LMNA P02545 4/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
XBP1 P17861 1/20 0.39
AGTR1 P30556 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTPN1 P18031 1/20 0.37
PKM P14618 2/20 0.37
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL6712429 0.91 LMNA (0.40) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL7174955 0.89 KMT2A (0.42) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL7189923 0.88 POLB (0.34) MAPTTP53ALDH1A1SMN1; SMN2MAPK1
SCHEMBL6712432 0.87 MAPK1 (0.38) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL6708265 0.86 ALDH1A1 (0.44) MAPTTP53ALDH1A1SMN1; SMN2NPSR1
SCHEMBL7318412 0.83 ALDH1A1 (0.37) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6714501 0.82 CA9 (0.38) MAPTLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL7421577 0.82 MMP9 (0.37) MAPTTP53LMNAALDH1A1SMN1; SMN2
SCHEMBL7321027 0.82 CYP2D6 (0.34) TP53ALDH1A1MAPK1NPSR1PKM
SCHEMBL7320647 0.82 THRB (0.39) MAPTTP53LMNASMN1; SMN2MAPK1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US claimed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US claimed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP claimed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS INC. (US) 1999-02-11 WO claimed
US-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2004-01-08 US disclosed
US-6583139-B1 Treatment of inflammatory diseases; inflammatory brain diseases such as multiple sclerosis; N-(Toluene-4-sulfonyl)-L-prolyl-4-(alpha -methylbenzyloxy)-L-phenylalanine; Very Late Antigen 4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-06-24 US disclosed
EP-0994896-A1 SULFONYLATED DIPEPTIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-04-26 EP disclosed
WO-1999006437-A1 SULFONYLATED DIPEPTIDE 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-20040006093-A1 Compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 MAPT 816/4885TP53 2366/4885LMNA 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.