SCHEMBL1892223

SCHEMBL1892223

CCCc1nc2cc(N(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc3F)ccc2n1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.43
GNRHR P30968 7/20 0.42
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
APEX1 P27695 1/20 0.40
TBXA2R P21731 1/20 0.40
F2 P00734 1/20 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
GAA P10253 1/20 0.39

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
SCHEMBL1888333 0.90 PTGDR2 (0.49) TRPM8GNRHRPTGDR2POLBGAA
SCHEMBL1890219 0.90 TRPM8 (0.47) TRPM8GNRHRAGTR1AGTR2PTGDR2
SCHEMBL1889270 0.90 KCNA5 (0.46) KCNA5TRPM8GNRHRAGTR1AGTR2
SCHEMBL1886642 0.89 AGTR1 (0.46) TRPM8GNRHRAGTR1AGTR2PTGDR2
SCHEMBL1883545 0.87 TRPM8 (0.48) TRPM8GNRHRAGTR1AGTR2PTGDR2
SCHEMBL1891626 0.86 CNR1 (0.52) TRPM8GNRHRAGTR1AGTR2PTGDR2
SCHEMBL1889576 0.85 AGTR1 (0.48) TRPM8GNRHRAGTR1AGTR2PTGDR2
SCHEMBL1887924 0.84 MEN1 (0.47) TRPM8GNRHRAGTR1AGTR2PTGDR2
SCHEMBL1885044 0.84 TRPM8 (0.44) TRPM8GNRHRAGTR1AGTR2PTGDR2
SCHEMBL1883649 0.82 PTGDR2 (0.47) TRPM8GNRHRAGTR1AGTR2PTGDR2

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 11 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
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
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 KCNA5 4313/4885TRPM8 771/4885GNRHR 742/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 KCNA5 4313/4885TRPM8 771/4885GNRHR 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.