SCHEMBL5477918

SCHEMBL5477918

Cc1ccccc1-c1cccc(CC(=O)O)c1NC(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.52
▸ FFAR1 O14842 2/20 0.42
▸ SUCNR1 Q9BXA5 3/20 0.40
▸ CXCL8 P10145 2/20 0.40
▸ CLIC1 O00299 1/20 0.40
▸ CLCN2 P51788 1/20 0.40
▸ AKR1B1 P15121 1/20 0.40
▸ AKR1B10 O60218 1/20 0.40
▸ UGT1A9 O60656 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ MT-CO2 P00403 1/20 0.40
▸ TTR P02766 1/20 0.40
▸ ALB P02768 1/20 0.40
▸ UGT1A6 P19224 1/20 0.40
▸ UGT1A1 P22309 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ CXCR1 P25024 1/20 0.40
▸ ADRA1A P35348 1/20 0.40
▸ AGTR2 P50052 1/20 0.40

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
SCHEMBL19475173 0.79 PTGS2 (0.55) PTGS2FFAR1SUCNR1CXCL8CLIC1
SCHEMBL9447453 0.78 PTGS2 (0.54) PTGS2FFAR1SUCNR1CXCL8CLIC1
SCHEMBL5151907 0.76 SUCNR1 (0.48) PTGS2FFAR1SUCNR1PTGS1NR1H4
SCHEMBL11899242 0.74 PTGS1 (0.50) PTGS2FFAR1SUCNR1AKR1B1PTGS1
SCHEMBL5518653 0.72 NLRP3 (0.57) PTGS2TDP1POLB
SCHEMBL5852133 0.72 SUCNR1 (0.44) PTGS2SUCNR1NR3C2
SCHEMBL9724473 0.72 CXCL8 (0.57) PTGS2SUCNR1CXCL8AKR1B1AKR1B10
SCHEMBL228994 0.71 PTGS2 (0.57) PTGS2AKR1B1PTGS1TDP1
Methylamine SCHEMBL11468456 0.71 CTBP2 (0.58) PTGS2CXCL8CLIC1CLCN2AKR1B1
SCHEMBL29363967 0.71 PTGS2 (0.57) PTGS2AKR1B1PTGS1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1265606-B9 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2007-02-28 — — EP disclosed
EP-1741428-A2 Cell adhesion inhibitors Biogen Idec MA, Inc. (US) 2007-01-10 — — EP disclosed
EP-1265606-B1 CELL ADHESION INHIBITORS BIOGEN IDEC INC (US) 2006-10-25 — — EP disclosed
US-20060166961-A1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-07-27 — — US disclosed
US-7034043-B2 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-04-25 — — US disclosed
EP-1091943-B1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PROD INC (US) 2005-11-30 — — EP disclosed
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 — — US disclosed
US-6630503-B1 Non-peptidic sulfonamide compounds that specifically inhibit the binding of ligands to VLA-4 for inhibition, prevention and suppression of VLA-4-mediated cell adhesion and pathologies such as inflammation and immune reactions BIOGEN, INC. 2003-10-07 — — US disclosed
EP-1265606-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2002-12-18 — — EP disclosed
EP-1265606-A4 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-18 — — EP disclosed
US-6355662-B1 PEPTIDE AND NONPEPTIDES AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS PFIZER INC 2002-03-12 — — US disclosed
US-6306887-B1 AROMATIC UREAS, CARBAMATES AND TRIAMINONITRILES AND HETEROCYCLIC COMPOUNDS PFIZER INC 2001-10-23 — — US disclosed
EP-1091943-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2001-04-18 — — EP disclosed
WO-2001012186-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 2001-02-22 — — WO disclosed
WO-2000000477-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2000-01-06 — — 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 (2 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-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM PTGS2 3907/4885FFAR1 552/4885SUCNR1 891/4885
US-20060166961-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM PTGS2 3444/4885FFAR1 743/4885SUCNR1 2180/4885

“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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