SCHEMBL1887814

SCHEMBL1887814

CCCc1nc2cc(N(Cc3ccccc3)C(=O)c3cccc(F)c3)ccc2n1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
AGTR2 P50052 3/20 0.42
AGTR1 P30556 2/20 0.42
PPARG P37231 3/20 0.41
APEX1 P27695 1/20 0.41
ITK Q08881 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
TBXA2R P21731 1/20 0.38

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 0.91 PTGDR2 (0.47) F2PTGDR2AGTR2AGTR1PPARG
SCHEMBL1887387 0.91 AGTR2 (0.46) F2PTGDR2AGTR2AGTR1PPARG
SCHEMBL1887633 0.90 PPARG (0.43) PTGDR2AGTR2AGTR1PPARGAPEX1
SCHEMBL1889030 0.90 F2 (0.47) F2PTGDR2AGTR2AGTR1
SCHEMBL1889669 0.90 F2 (0.39) F2PTGDR2AGTR2AGTR1PPARG
SCHEMBL1891061 0.90 APEX1 (0.42) PTGDR2AGTR2AGTR1PPARGAPEX1
SCHEMBL1883677 0.86 RAB9A (0.51) AGTR2AGTR1PPARGAPEX1LMNA
SCHEMBL1886357 0.86 ITK (0.49) F2AGTR2AGTR1PPARGAPEX1
SCHEMBL1884541 0.84 APEX1 (0.47) AGTR2AGTR1PPARGAPEX1LMNA
SCHEMBL1893585 0.82 APEX1 (0.45) AGTR2AGTR1PPARGAPEX1BCHE

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 F2 895/4885PTGDR2 3/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 F2 895/4885PTGDR2 3/4885AGTR2 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.