SCHEMBL1886744

SCHEMBL1886744

CCCc1nc2c(N)c(C(=O)OC(C)(C)C)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TLR7 Q9NYK1 7/20 0.37
▸ GLA P06280 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ CACNA1B Q00975 1/20 0.34
▸ PPARG P37231 5/20 0.33
▸ TSHR P16473 1/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32

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 0.81 KDM4E (0.44) KDM4EALDH1A1TLR7PPARGTSHR
SCHEMBL1885392 0.77 KDM4E (0.44) KDM4EALDH1A1GAACACNA1BPPARG
SCHEMBL1885760 0.74 DCTPP1 (0.42) KDM4EALDH1A1PPARGTSHR
SCHEMBL1885737 0.70 KDM4E (0.44) KDM4EALDH1A1TLR7GLAGAA
SCHEMBL1882734 0.69 ACSS2 (0.46) KDM4EALDH1A1TLR7MAPTTSHR
SCHEMBL27534386 0.69 KDM4E (0.32) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL8667525 0.67 ASAH1 (0.40) KDM4EALDH1A1GAAMAPTHPGD
SCHEMBL1885555 0.67 KDM4E (0.39) KDM4EALDH1A1TLR7MAPTPPARG
SCHEMBL1886847 0.67 BRD4 (0.38) KDM4EALDH1A1GAAMEN1KMT2A
SCHEMBL1885070 0.66 GNRHR (0.44) KDM4EALDH1A1GAAMAPTPPARG

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 6 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
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 KDM4E 4800/4885ALDH1A1 331/4885TLR7 2107/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 KDM4E 4800/4885ALDH1A1 331/4885TLR7 2107/4885

“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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