SCHEMBL1887598

SCHEMBL1887598

CCCCc1nc2cc(N(Cc3ccccc3)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.47
TRPM8 Q7Z2W7 1/20 0.45
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
NR3C1 P04150 1/20 0.42
THRB P10828 1/20 0.42
RECQL P46063 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL1887957 0.95 GNRHR (0.48) GNRHRTRPM8NR3C1THRBRECQL
SCHEMBL1884995 0.91 GNRHR (0.45) GNRHRTRPM8AGTR1AGTR2NR3C1
SCHEMBL1890640 0.90 GNRHR (0.47) GNRHRTRPM8AGTR1AGTR2NR3C1
SCHEMBL1889576 0.90 AGTR1 (0.48) GNRHRTRPM8AGTR1AGTR2NR3C1
SCHEMBL1888276 0.89 GNRHR (0.44) GNRHRTRPM8AGTR1AGTR2NR3C1
SCHEMBL1883538 0.88 CNR2 (0.47) GNRHRTRPM8
SCHEMBL1883832 0.87 GNRHR (0.44) GNRHRTRPM8NR3C1ALDH1A1GAA
SCHEMBL1886811 0.87 PTGDR2 (0.45) GNRHRAGTR1AGTR2THRBRECQL
SCHEMBL1887547 0.87 TRPM8 (0.44) GNRHRTRPM8ALDH1A1GAA
SCHEMBL1890955 0.86 TRPM8 (0.45) GNRHRTRPM8AGTR1AGTR2THRB

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 6 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-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 GNRHR 742/4885TRPM8 771/4885AGTR1 124/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885TRPM8 771/4885AGTR1 124/4885

“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.