SCHEMBL7068178

SCHEMBL7068178

CCOC(=O)[C@H](Cc1ccccc1)N(C(=O)C1CS(=O)(=O)CCN1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TAS2R14 Q9NYV8 3/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7069483 0.91 NPSR1 (0.41) NPSR1CNR2KMT2ATAS2R14ADAMTS5
SCHEMBL7314567 0.85 CYP2D6 (0.34) NPSR1L3MBTL1ALDH1A1
SCHEMBL3870277 0.81 PTGES (0.35) NPSR1LMNAMEN1KMT2AADAMTS5
SCHEMBL3870123 0.81 P2RX7 (0.36) NPSR1CNR2LMNAMEN1KMT2A
SCHEMBL7645512 0.80 PPARG (0.34) NPSR1CNR2LMNAMEN1KMT2A
SCHEMBL3877158 0.80 P2RX7 (0.32) CNR2LMNAMEN1KMT2AALDH1A1
SCHEMBL3870071 0.79 P2RX7 (0.32) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL3870515 0.79 P2RX7 (0.34) LMNAMEN1KMT2AALDH1A1GAA
SCHEMBL5691489 0.79 ENPP3 (0.36) POLBLMNAMEN1KMT2AALDH1A1
SCHEMBL7327485 0.78 HRH1 (0.36) NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US claimed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US claimed
EP-1001975-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006436-A1 BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-6586602-B2 CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-07-01 US disclosed
US-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6362341-B1 ANTIINFLAMMATORY AGENTS ATHENA NEUROSCIENCES, INC. 2002-03-26 US 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-20030065193-A1 Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGB4 POLB 3878/4885NPSR1 2315/4885L3MBTL1 186/4885

“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.