SCHEMBL1889659

SCHEMBL1889659

CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3sccc3C)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
AGTR2 P50052 2/20 0.35
AGTR1 P30556 1/20 0.35
GNRHR P30968 1/20 0.34
TSHR P16473 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
SCHEMBL1887411 0.90 APEX1 (0.41) PPARGLMNAMAPTAGTR2AGTR1
SCHEMBL1885645 0.88 MEN1 (0.42) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL1891790 0.86 PPARG (0.40) PPARGKDM4EALDH1A1LMNAMAPT
SCHEMBL1884669 0.84 RAB9A (0.46) PPARGKDM4EALDH1A1LMNAGNRHR
SCHEMBL1883796 0.84 RAB9A (0.38) PPARGKDM4EALDH1A1LMNAMAPT
SCHEMBL1883736 0.84 ITK (0.45) PPARGALDH1A1LMNAMAPTAGTR2
SCHEMBL1886412 0.84 GNRHR (0.42) PPARGKDM4ELMNAMAPTAGTR2
SCHEMBL1885462 0.84 KDM4E (0.39) PPARGKDM4EALDH1A1LMNAMAPT
SCHEMBL1889006 0.83 F2 (0.42) AGTR2AGTR1
SCHEMBL1889669 0.83 F2 (0.39) PPARGKDM4EALDH1A1AGTR2AGTR1

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 PPARG 123/4885KDM4E 4800/4885ALDH1A1 331/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PPARG 123/4885KDM4E 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.