SCHEMBL1891435

SCHEMBL1891435

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.42
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
CNR2 P34972 1/20 0.38
TBXA2R P21731 4/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
HDAC1 Q13547 1/20 0.37
PLA2G7 Q13093 1/20 0.37
ALOX5AP P20292 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
GAA P10253 1/20 0.35

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 0.93 GNRHR (0.45) GNRHRAGTR1AGTR2CNR2TBXA2R
SCHEMBL1889270 0.91 KCNA5 (0.46) GNRHRAGTR1AGTR2CNR2TRPM8
SCHEMBL1883538 0.90 CNR2 (0.47) GNRHRCNR2TBXA2RTRPM8
SCHEMBL1890955 0.90 TRPM8 (0.45) GNRHRAGTR1AGTR2CNR2TBXA2R
SCHEMBL1887957 0.90 GNRHR (0.48) GNRHRCNR2TRPM8ALDH1A1GAA
SCHEMBL1888006 0.88 TRPM8 (0.47) GNRHRTRPM8
SCHEMBL1885794 0.88 TRPM8 (0.41) GNRHRCNR2TBXA2RTRPM8USP2
SCHEMBL1886642 0.88 AGTR1 (0.46) GNRHRAGTR1AGTR2CNR2TBXA2R
SCHEMBL1890613 0.87 AGTR1 (0.41) GNRHRAGTR1AGTR2CNR2TBXA2R
SCHEMBL1888276 0.86 GNRHR (0.44) GNRHRAGTR1AGTR2CNR2TBXA2R

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 742/4885AGTR1 124/4885AGTR2 48/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 GNRHR 742/4885AGTR1 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.