SCHEMBL1889687

SCHEMBL1889687

CCCc1nc2c(N(c3ccc(F)cc3)S(C)(=O)=O)cccc2n1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.39
▸ PPARG P37231 5/20 0.39
▸ APEX1 P27695 1/20 0.38
▸ AKR1B10 O60218 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PER2 O15055 2/20 0.35
▸ CRY1 Q16526 2/20 0.35
▸ CRY2 Q49AN0 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ CA13 Q8N1Q1 1/20 0.34

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
SCHEMBL1893562 0.78 PPARG (0.42) PTGDR2PPARGAPEX1
SCHEMBL1885452 0.77 TRPM8 (0.41) PTGDR2PPARGL3MBTL1
SCHEMBL1887901 0.76 PPARG (0.39) PTGDR2PPARGAPEX1AKR1B10POLB
SCHEMBL1889690 0.74 PPARG (0.42) PTGDR2PPARGAPEX1
SCHEMBL1889207 0.74 SMN1; SMN2 (0.42) PTGDR2PPARGL3MBTL1
SCHEMBL1887062 0.73 HCRTR2 (0.37) PTGDR2PPARGAPEX1POLBL3MBTL1
SCHEMBL1888892 0.73 HCRTR2 (0.37) PTGDR2PPARGAPEX1POLBL3MBTL1
SCHEMBL1890982 0.72 APEX1 (0.49) PTGDR2PPARGAPEX1AKR1B10TSHR
SCHEMBL1888097 0.69 PPARG (0.38) PPARGPOLB
SCHEMBL1887439 0.69 PTGDR2 (0.47) PTGDR2APEX1POLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 — — US 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 PTGDR2 3/4885PPARG 123/4885APEX1 4106/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PTGDR2 3/4885PPARG 123/4885APEX1 4106/4885

“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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