SCHEMBL1887747

SCHEMBL1887747

CCCc1nc2cc(N(Cc3cccc(Cl)c3Cl)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.42
GAA P10253 1/20 0.40
GNRHR P30968 3/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CNR2 P34972 1/20 0.38
PPARG P37231 1/20 0.38
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TBXA2R P21731 2/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
USP2 O75604 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1885597 0.94 PTGDR2 (0.45) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL1887456 0.90 GNRHR (0.41) GAAGNRHRTHRBRECQLCA1
SCHEMBL12663015 0.88 PTGDR2 (0.46) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL1889628 0.87 GNRHR (0.44) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL12663021 0.87 PTGDR2 (0.45) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL1888333 0.86 PTGDR2 (0.49) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL1890219 0.86 TRPM8 (0.47) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL1890989 0.86 PTGDR2 (0.44) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL1887924 0.85 MEN1 (0.47) PTGDR2GAAGNRHRTHRBRECQL
SCHEMBL1891626 0.85 CNR1 (0.52) PTGDR2GAAGNRHRCNR2PPARG

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732618-B2 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2010-06-08 US claimed
EP-1814865-A4 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH CORP (US) 2009-09-02 EP claimed
EP-1814865-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF Athersys, Inc. (US) 2007-08-08 EP claimed
US-20060106081-A1 Benzimidazole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH 2006-05-18 US claimed
WO-2006034418-A2 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF ATHERSYS, INC. (US) 2006-03-30 WO claimed
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 3/4885GAA 2397/4885GNRHR 742/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PTGDR2 3/4885GAA 2397/4885GNRHR 742/4885

“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.