SCHEMBL5040288

SCHEMBL5040288

COc1ccc2sc(C(=O)O)c(OC(C)C)c2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 3/20 0.78
SELE P16581 3/20 0.78
VCAM1 P19320 1/20 0.78
EDNRA P25101 2/20 0.70
MPO P05164 1/20 0.59
CYSLTR1 Q9Y271 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PPARA Q07869 3/20 0.41
PTGS2 P35354 3/20 0.41
PTGS1 P23219 2/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
TSHR P16473 2/20 0.41
CDC42 P60953 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
SCHEMBL9373001 0.89 ICAM1 (0.62) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL6940328 0.88 ICAM1 (1.00) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL30724572 0.87 ICAM1 (0.58) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL5034022 0.86 ICAM1 (0.74) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL6945268 0.85 ICAM1 (0.81) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL8443506 0.85 ICAM1 (1.00) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL8442408 0.84 EDNRA (0.61) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL6940366 0.84 ICAM1 (0.74) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL6938411 0.84 ICAM1 (0.70) ICAM1SELEVCAM1EDNRAMPO
SCHEMBL8442746 0.83 ICAM1 (0.78) ICAM1SELEVCAM1EDNRAMPO

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS THE MACFARLANE BURNET INSTITUTE FOR MEDICAL RESEARCH AND PUBLIC HEALTH LTD (AU) 2011-06-16 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
US-7910770-B2 3-Isopropoxy-7-methoxy-N-(1H-1,2,3,4-tetrazol-5-yl)-1-benzo[b]thiophene-2-carboxamide; autoimmune diseases such as rheumatoid arthritis, immune thrombocytopenia purpura, systemic lupus erythematosus and Crohn's disease TRILLIUM THERAPEUTICS INC. (CA) 2011-03-22 US disclosed
EP-1585745-A4 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS TRILLIUM THERAPEUTICS INC (CA) 2008-07-09 EP disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions TRILLIUM THERAPEUTICS, INC. (CA) 2008-06-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
US-7332631-B2 These compounds typically have a core lipophilic group, substituted with a group rich in pi -electrons, preferably having a delocalised pi -electron system; typically include at least one acidic group having a pi -electron system; Autoimmune diseases TRILLIUM THERAPEUTICS INC. (CA) 2008-02-19 US disclosed
EP-1585745-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS Arthron Limited (AU) 2005-10-19 EP disclosed
WO-2004058747-A1 FC RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS ARTHRON LIMITED (AU) 2004-07-15 WO disclosed
US-5464856-A Arylmethylenyl derivatives of imidazolidinones useful as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1995-11-07 US disclosed
US-5426191-A Treating substituted cinnamic acids with 4-N,N*-disubstituted aminopyridines, then with thionyl chloride WARNER-LAMBERT COMPANY (US) 1995-06-20 US disclosed
WO-1995015323-A1 IMPROVED PROCESS FOR THE SYNTHESIS OF 3-CHLOROBENZO[b]THIOPHENE-2-CARBONYL CHLORIDES WARNER-LAMBERT COMPANY (US) 1995-06-08 WO disclosed
EP-0628038-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1994-12-14 EP disclosed
US-5356926-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1994-10-18 US disclosed
US-5306822-A Mono-, di- or tri-methoxyphenylmethylene-2-thioxo-4-oxazolidinone as antihistamines WARNER-LAMBERT COMPANY (US) 1994-04-26 US disclosed
WO-1993017008-A1 3-ALKYLOXY-, ARYLOXY-, OR ARYLALKYLOXYBENZO[b]THIOPHENE-2-CARBOXAMIDES AS INHIBITORS OF CELL ADHESION WARNER-LAMBERT COMPANY (US) 1993-09-02 WO disclosed
US-5208253-A Antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed
US-5208250-A Known and selected novel arylmethylenyl derivatives of thiazolidinones, imidazolidinones and oxazolidinones useful as antiallergy agents and anti-inflammatory agents WARNER-LAMBERT COMPANY (US) 1993-05-04 US disclosed
EP-0343643-A2 Arylmethylenyl derivatives of thiazolidnones, imidazolidinones and oxazolidinones useful as antiallergy agents and antiinflamatory agents WARNER-LAMBERT COMPANY (US) 1989-11-29 EP 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-20110144170-A1 Fc RECEPTOR MODULATING COMPOUNDS AND COMPOSITIONS FCGR1A, FCGR2A, FCGR3B ICAM1 457/4885SELE 145/4885VCAM1 493/4885
US-20080146632-A1 Fc Receptor Modulating Compounds and Compositions FCGR1A, FCGR2A, FCGR3B ICAM1 457/4885SELE 145/4885VCAM1 493/4885

“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.