SCHEMBL6237724

SCHEMBL6237724

Cc1ccccc1COc1ccc(CC(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.64
FFAR1 O14842 8/20 0.60
FFAR4 Q5NUL3 4/20 0.60
S1PR1 P21453 1/20 0.60
S1PR5 Q9H228 1/20 0.60
PTGER4 P35408 1/20 0.53
ALOX5 P09917 1/20 0.51
SLC26A4 O43511 1/20 0.51
THRA P10827 1/20 0.50
THRB P10828 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PPARD Q03181 1/20 0.50

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
SCHEMBL10567764 0.87 FFAR1 (0.53) MAOBFFAR1FFAR4S1PR1S1PR5
SCHEMBL6295627 0.85 MAOB (0.61) MAOBFFAR1FFAR4S1PR1S1PR5
SCHEMBL13460991 0.84 PTGER4 (0.60) MAOBFFAR1FFAR4PTGER4
SCHEMBL28141293 0.83 AKR1B1 (0.58) FFAR1FFAR4ALOX5
SCHEMBL954556 0.83 SLC22A12 (0.68) FFAR1FFAR4ALOX5PPARD
SCHEMBL6857028 0.82 L3MBTL1 (0.62) FFAR1FFAR4PTGER4ALOX5PPARD
SCHEMBL3500758 0.82 MAOB (0.63) MAOBFFAR1FFAR4
SCHEMBL2552269 0.82 FOLH1 (0.53) FFAR1FFAR4ALOX5
SCHEMBL13951676 0.81 MAOB (0.77) MAOBFFAR1S1PR1S1PR5SLC26A4
SCHEMBL14675544 0.81 FFAR1 (0.60) FFAR1FFAR4PTGER4ALOX5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
US-6903128-B2 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases PFIZER INC (US) 2005-06-07 US disclosed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2004-05-27 US disclosed
US-6668527-B2 Antiinflamamtory agents; autoimmune disease PFIZER INC. 2003-12-30 US disclosed
US-6667331-B2 For example 3-(2-(1-(2-(3-Methoxy-4-(3-o-tolyl-ureido)-phenyl)-acetylamino )-3-methyl-butyl)-4,5-dihydro-oxazol-5-yl)-2-methyl-propionic acid PFIZER INC 2003-12-23 US disclosed
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2003-05-29 US disclosed
CN-1413210-A Non-peptidyl inhibitors of VLA-4 dependent cell binding for the treatment of inflammation, autoimmune diseases and respiratory diseases PFIZER PROD INC (US) 2003-04-23 CN disclosed
US-20030004196-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases DUPLANTIER ALLEN J (US) 2003-01-02 US disclosed
EP-1244656-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES Pfizer Products Inc. (US) 2002-10-02 EP disclosed
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases PFIZER INC. 2002-04-25 US disclosed
WO-2001051487-A1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PRODUCTS INC. (US) 2001-07-19 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 (4 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-20030004196-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, CCR10 MAOB 4115/4885FFAR1 156/4885FFAR4 123/4885
US-20040102496-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELPLG, VSIG8 MAOB 4108/4885FFAR1 155/4885FFAR4 130/4885
US-20020049236-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, CCR10, SELPLG MAOB 4243/4885FFAR1 143/4885FFAR4 105/4885
US-20030100585-A1 Non-peptidyl inhibitors of VLA-4 dependent cell binding useful in treating inflammatory, autoimmune, and respiratory diseases VCAM1, SELP, SELPLG MAOB 4122/4885FFAR1 123/4885FFAR4 22/4885

“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.