SCHEMBL1889314

SCHEMBL1889314

CCCc1nc2cc(N(Cc3ccccc3)C(=O)C3CCCCC3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 6/20 0.44
ITK Q08881 6/20 0.41
CNR2 P34972 2/20 0.41
CNR1 P21554 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
INSR P06213 2/20 0.39
PTPRB P23467 1/20 0.38
PTPN11 Q06124 1/20 0.38
PPARG P37231 1/20 0.38
ACHE P22303 1/20 0.37
TP53 P04637 1/20 0.37
PDPK1 O15530 1/20 0.36
MAP4K4 O95819 1/20 0.36
PAK4 O96013 1/20 0.36
PHKG2 P15735 1/20 0.36
MARK3 P27448 1/20 0.36
FLT3 P36888 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CSNK1D P48730 1/20 0.36

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
SCHEMBL1885965 0.99 NR1H4 (0.43) NR1H4ITKCNR2CNR1LMNA
SCHEMBL1891736 0.89 CNR2 (0.45) NR1H4ITKCNR2CNR1LMNA
SCHEMBL1890681 0.89 CNR2 (0.43) NR1H4ITKCNR2CNR1LMNA
SCHEMBL1892586 0.88 NR1H4 (0.38) NR1H4CNR2CNR1PTPRBPTPN11
SCHEMBL1891790 0.87 PPARG (0.40) LMNAPPARG
SCHEMBL1885462 0.85 KDM4E (0.39) LMNAPPARGACHE
SCHEMBL1883736 0.83 ITK (0.45) ITKLMNAINSRPPARG
SCHEMBL1885440 0.83 CNR2 (0.40) CNR2LMNAPPARGACHE
SCHEMBL1884538 0.82 ITK (0.40) NR1H4ITKLMNAPPARGTP53
SCHEMBL1884669 0.82 RAB9A (0.46) LMNAPPARG

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 NR1H4 143/4885ITK 2715/4885CNR2 114/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 NR1H4 143/4885ITK 2715/4885CNR2 114/4885

“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.