SCHEMBL1883545

SCHEMBL1883545

CCCc1nc2cc(N(Cc3ccc(F)cc3)S(=O)(=O)c3cccc(F)c3)ccc2n1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.48
AGTR1 P30556 1/20 0.43
AGTR2 P50052 1/20 0.43
GAA P10253 1/20 0.42
GNRHR P30968 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
TBXA2R P21731 2/20 0.41
HCRTR2 O43614 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.39
PTGER2 P43116 2/20 0.39
PPARG P37231 2/20 0.39
PTPRB P23467 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
SCHEMBL1890219 0.92 TRPM8 (0.47) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1887924 0.92 MEN1 (0.47) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1888333 0.91 PTGDR2 (0.49) TRPM8GAAGNRHRTHRBRECQL
SCHEMBL1890955 0.89 TRPM8 (0.45) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1886642 0.89 AGTR1 (0.46) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1891626 0.88 CNR1 (0.52) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1892223 0.87 KCNA5 (0.49) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1889628 0.86 GNRHR (0.44) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1885044 0.86 TRPM8 (0.44) TRPM8AGTR1AGTR2GAAGNRHR
SCHEMBL1889576 0.86 AGTR1 (0.48) TRPM8AGTR1AGTR2GAAGNRHR

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 TRPM8 771/4885AGTR1 124/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 TRPM8 771/4885AGTR1 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.