SCHEMBL1887387

SCHEMBL1887387

CCCc1nc2cc(N(Cc3ccc(F)cc3)C(=O)c3ccccc3)ccc2n1CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.46
AGTR1 P30556 3/20 0.46
MAPK14 Q16539 3/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.43
STAT3 P40763 1/20 0.43
PPARG P37231 3/20 0.43
APEX1 P27695 1/20 0.42
F2 P00734 1/20 0.42
ITK Q08881 1/20 0.42
TBXA2R P21731 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
SCHEMBL1887851 0.96 PTGDR2 (0.47) AGTR2AGTR1MAPK14PTGDR2PPARG
SCHEMBL1887814 0.91 F2 (0.44) AGTR2AGTR1PTGDR2PPARGAPEX1
SCHEMBL1883605 0.89 GNRHR (0.42) AGTR2AGTR1MAPK14STAT3PPARG
SCHEMBL1885728 0.89 AGTR1 (0.46) AGTR2AGTR1MAPK14PPARGAPEX1
SCHEMBL1889030 0.88 F2 (0.47) AGTR2AGTR1PTGDR2F2
SCHEMBL1886357 0.88 ITK (0.49) AGTR2AGTR1STAT3PPARGAPEX1
SCHEMBL1887633 0.86 PPARG (0.43) AGTR2AGTR1PTGDR2PPARGAPEX1
SCHEMBL1886412 0.86 GNRHR (0.42) AGTR2AGTR1MAPK14PTGDR2PPARG
SCHEMBL1883677 0.86 RAB9A (0.51) AGTR2AGTR1PPARGAPEX1
SCHEMBL1891061 0.86 APEX1 (0.42) AGTR2AGTR1PTGDR2PPARGAPEX1

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 AGTR2 48/4885AGTR1 124/4885MAPK14 1202/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 AGTR2 48/4885AGTR1 124/4885MAPK14 1202/4885

“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.