SCHEMBL1890982

SCHEMBL1890982

CCCc1nc2c(N)cccc2n1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.49
▸ TLR8 Q9NR97 1/20 0.48
▸ PPARG P37231 6/20 0.44
▸ TSHR P16473 1/20 0.44
▸ AKR1B10 O60218 1/20 0.43
▸ FBP1 P09467 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ AGTR2 P50052 1/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.39

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
SCHEMBL1889761 0.83 KDM4E (0.44) TLR8PPARGTSHRFBP1KDM4E
SCHEMBL27678877 0.77 APEX1 (0.53) APEX1KDM4EAGTR1AGTR2PTGDR2
SCHEMBL27678874 0.75 APEX1 (0.54) APEX1PPARGKDM4EAGTR1AGTR2
SCHEMBL3825019 0.75 TLR7 (0.42) APEX1PPARGAKR1B10TLR7
SCHEMBL5617210 0.73 TLR7 (0.71) TLR8TLR7
SCHEMBL7043121 0.73 AGTR1 (0.49) APEX1PPARGAKR1B10KDM4EAGTR1
SCHEMBL1889687 0.72 PTGDR2 (0.39) APEX1PPARGTSHRAKR1B10PTGDR2
SCHEMBL1889690 0.71 PPARG (0.42) APEX1PPARGAGTR1AGTR2PTGDR2
SCHEMBL9422759 0.70 APEX1 (0.84) APEX1TSHRKDM4EAGTR1AGTR2
SCHEMBL27697873 0.70 APEX1 (0.51) APEX1KDM4EPTGDR2

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 APEX1 4106/4885TLR8 1554/4885PPARG 123/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 APEX1 4106/4885TLR8 1554/4885PPARG 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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