SCHEMBL1886621

SCHEMBL1886621

CCCc1nc2c(N(CCOC)S(=O)(=O)c3cccc(F)c3)cccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR6 P50406 2/20 0.32
▸ TLR7 Q9NYK1 3/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ PTGER2 P43116 2/20 0.32
▸ PPARG P37231 2/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ CA13 Q8N1Q1 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL1890984 0.90 HCRTR2 (0.34) HCRTR2KDM4EALDH1A1HTR6MEN1
SCHEMBL1888892 0.90 HCRTR2 (0.37) HCRTR2HTR6RORCPPARGNR1I2
SCHEMBL3047903 0.89 TRPM8 (0.38) HCRTR2KDM4EALDH1A1LMNAPTGER2
SCHEMBL3051896 0.89 SMN1; SMN2 (0.40) HCRTR2KDM4EALDH1A1MEN1LMNA
SCHEMBL1883860 0.86 ALDH1A1 (0.35) HCRTR2KDM4EALDH1A1HTR6MEN1
SCHEMBL1887062 0.79 HCRTR2 (0.37) HCRTR2ALDH1A1HTR6LMNAPTGER2
SCHEMBL1889207 0.79 SMN1; SMN2 (0.42) HCRTR2ALDH1A1MEN1LMNAKMT2A
SCHEMBL1886847 0.79 BRD4 (0.38) KDM4EALDH1A1MEN1LMNAKMT2A
SCHEMBL1890955 0.76 TRPM8 (0.45) HCRTR2KDM4EALDH1A1LMNAPTGER2
SCHEMBL1888097 0.75 PPARG (0.38) HCRTR2KDM4EALDH1A1PPARGPPARA

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 HCRTR2 126/4885KDM4E 4800/4885ALDH1A1 331/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 HCRTR2 126/4885KDM4E 4800/4885ALDH1A1 331/4885

“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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