SCHEMBL1889207

SCHEMBL1889207

CCCc1nc2c(N(Cc3ccccc3)S(=O)(=O)c3cccc(F)c3)cccc2n1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TRPM8 Q7Z2W7 2/20 0.40
▸ PPARG P37231 3/20 0.39
▸ PTPRB P23467 1/20 0.39
▸ HCRTR2 O43614 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ PTGER2 P43116 2/20 0.37
▸ PTGDR Q13258 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ TSPO P30536 1/20 0.36

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
SCHEMBL1885452 0.96 TRPM8 (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1TRPM8
SCHEMBL3051896 0.90 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AL3MBTL1TRPM8
SCHEMBL1888892 0.87 HCRTR2 (0.37) L3MBTL1PPARGHCRTR2GAAPTGDR
SCHEMBL1887062 0.87 HCRTR2 (0.37) SMN1; SMN2L3MBTL1PPARGHCRTR2GAA
SCHEMBL3047903 0.86 TRPM8 (0.38) SMN1; SMN2TRPM8PPARGPTPRBHCRTR2
SCHEMBL1887901 0.85 PPARG (0.39) SMN1; SMN2L3MBTL1PPARGHCRTR2GAA
SCHEMBL1893562 0.84 PPARG (0.42) SMN1; SMN2PPARGHCRTR2GAATAS2R14
SCHEMBL1883545 0.81 TRPM8 (0.48) MEN1KMT2AL3MBTL1TRPM8PPARG
SCHEMBL1886621 0.79 HCRTR2 (0.35) MEN1KMT2APPARGHCRTR2LMNA
SCHEMBL1890984 0.78 HCRTR2 (0.34) MEN1KMT2APPARGHCRTR2LMNA

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 SMN1; SMN2 3835/4885MEN1 4279/4885KMT2A 3616/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 SMN1; SMN2 3835/4885MEN1 4279/4885KMT2A 3616/4885

“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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