SCHEMBL1888892

SCHEMBL1888892

CCCc1nc2c(N(CCOC)S(=O)(=O)c3cccc(F)c3)cccc2n1CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.37
▸ NR1I2 O75469 1/20 0.35
▸ PPARG P37231 3/20 0.35
▸ PTGDR2 Q9Y5Y4 5/20 0.35
▸ PTGDR Q13258 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ AKR1B1 P15121 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ KEAP1 Q14145 1/20 0.33
▸ NFE2L2 Q16236 1/20 0.33

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
SCHEMBL1886621 0.90 HCRTR2 (0.35) HCRTR2NR1I2PPARGRORCHTR6
SCHEMBL1887062 0.89 HCRTR2 (0.37) HCRTR2PPARGPTGDR2PTGDRPOLB
SCHEMBL1889207 0.87 SMN1; SMN2 (0.42) HCRTR2PPARGPTGDR2PTGDRL3MBTL1
SCHEMBL1885452 0.86 TRPM8 (0.41) HCRTR2PPARGPTGDR2L3MBTL1
SCHEMBL1887901 0.84 PPARG (0.39) HCRTR2PPARGPTGDR2PTGDRPOLB
SCHEMBL1890984 0.80 HCRTR2 (0.34) HCRTR2PPARGPTGDR2PTGDRHTR6
SCHEMBL3051896 0.79 SMN1; SMN2 (0.40) HCRTR2PPARGL3MBTL1GAA
SCHEMBL3047903 0.78 TRPM8 (0.38) HCRTR2PPARG
SCHEMBL1883860 0.75 ALDH1A1 (0.35) HCRTR2PPARGGAAHTR6
SCHEMBL1889687 0.73 PTGDR2 (0.39) PPARGPTGDR2POLBL3MBTL1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 — — US claimed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 — — US disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 — — US disclosed
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 — — US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 — — US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 — — US disclosed
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 — — US disclosed
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 — — EP disclosed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 — — EP disclosed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 — — US disclosed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 — — 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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof HRH2, TBXA2R, PTGDR2 HCRTR2 126/4885NR1I2 107/4885PPARG 123/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 HCRTR2 126/4885NR1I2 107/4885PPARG 123/4885

“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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