SCHEMBL1887851

SCHEMBL1887851

CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.47
AGTR1 P30556 2/20 0.46
AGTR2 P50052 2/20 0.46
F2 P00734 3/20 0.43
MAPK14 Q16539 4/20 0.42
APEX1 P27695 1/20 0.42
PPARG P37231 2/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
ITK Q08881 1/20 0.41
GNRHR P30968 1/20 0.41

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
SCHEMBL1887387 0.96 AGTR2 (0.46) PTGDR2AGTR1AGTR2F2MAPK14
SCHEMBL1889030 0.91 F2 (0.47) PTGDR2AGTR1AGTR2F2
SCHEMBL1887814 0.91 F2 (0.44) PTGDR2AGTR1AGTR2F2APEX1
SCHEMBL1886357 0.91 ITK (0.49) AGTR1AGTR2F2APEX1PPARG
SCHEMBL1886412 0.89 GNRHR (0.42) PTGDR2AGTR1AGTR2F2MAPK14
SCHEMBL1891061 0.88 APEX1 (0.42) PTGDR2AGTR1AGTR2APEX1PPARG
SCHEMBL1883677 0.88 RAB9A (0.51) AGTR1AGTR2APEX1PPARG
SCHEMBL1885728 0.87 AGTR1 (0.46) AGTR1AGTR2F2MAPK14APEX1
SCHEMBL1887633 0.86 PPARG (0.43) PTGDR2AGTR1AGTR2APEX1PPARG
SCHEMBL1884541 0.86 APEX1 (0.47) AGTR1AGTR2APEX1PPARG

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 7 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-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH 2011-05-05 US disclosed
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-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 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 PTGDR2 3/4885AGTR1 124/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PTGDR2 3/4885AGTR1 124/4885AGTR2 48/4885

“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.