SCHEMBL1889270

SCHEMBL1889270

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.46
GNRHR P30968 8/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
AGTR1 P30556 1/20 0.38
AGTR2 P50052 1/20 0.38
ALOX5AP P20292 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR2 O43614 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL1884995 0.91 GNRHR (0.45) GNRHRTRPM8AGTR1AGTR2ALDH1A1
SCHEMBL1891435 0.91 GNRHR (0.42) GNRHRTRPM8AGTR1AGTR2ALOX5AP
SCHEMBL1887957 0.91 GNRHR (0.48) GNRHRTRPM8MEN1KMT2APTPN22
SCHEMBL1892223 0.90 KCNA5 (0.49) KCNA5GNRHRTRPM8AGTR1AGTR2
SCHEMBL1890955 0.89 TRPM8 (0.45) GNRHRTRPM8AGTR1AGTR2HCRTR2
SCHEMBL1883538 0.88 CNR2 (0.47) GNRHRTRPM8PTPN22CNR2
SCHEMBL1887598 0.86 GNRHR (0.47) GNRHRTRPM8AGTR1AGTR2ALDH1A1
SCHEMBL1888276 0.86 GNRHR (0.44) GNRHRTRPM8AGTR1AGTR2MEN1
SCHEMBL1888006 0.86 TRPM8 (0.47) GNRHRTRPM8HCRTR2
SCHEMBL1885794 0.86 TRPM8 (0.41) GNRHRTRPM8POLBALDH1A1CNR2

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 KCNA5 4313/4885GNRHR 742/4885TRPM8 771/4885

“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.