SCHEMBL1889761

SCHEMBL1889761

CCCc1nc2c(N)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.43
▸ FBP1 P09467 2/20 0.41
▸ TSHR P16473 1/20 0.39
▸ PPARG P37231 5/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ TLR7 Q9NYK1 3/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ AGTR1 P30556 1/20 0.35
▸ AGTR2 P50052 1/20 0.35

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
SCHEMBL1890982 0.83 APEX1 (0.49) KDM4ETLR8FBP1TSHRPPARG
SCHEMBL1885760 0.83 DCTPP1 (0.42) KDM4EALDH1A1TSHRPPARGPPARA
SCHEMBL1885737 0.82 KDM4E (0.44) KDM4EALDH1A1TSHRPPARGCA1
SCHEMBL1886744 0.81 KDM4E (0.37) KDM4EALDH1A1TLR8TSHRPPARG
SCHEMBL8599561 0.80 KDM4E (0.44) KDM4EALDH1A1TLR8FBP1KMT2A
SCHEMBL1885392 0.77 KDM4E (0.44) KDM4EALDH1A1TSHRPPARGCA1
SCHEMBL1885555 0.75 KDM4E (0.39) KDM4EALDH1A1PPARGPPARATLR7
SCHEMBL1886847 0.75 BRD4 (0.38) KDM4EALDH1A1KMT2A
SCHEMBL3825019 0.74 TLR7 (0.42) PPARGPPARATLR7
SCHEMBL1883860 0.73 ALDH1A1 (0.35) KDM4EALDH1A1PPARGCA1CA2

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 KDM4E 4800/4885ALDH1A1 331/4885TLR8 1554/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 KDM4E 4800/4885ALDH1A1 331/4885TLR8 1554/4885

“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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