SCHEMBL1890989

SCHEMBL1890989

CCCc1nc2cc(N(Cc3ccccc3C(F)(F)F)S(=O)(=O)c3ccc(F)cc3)ccc2n1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
TRPM8 Q7Z2W7 2/20 0.44
GAA P10253 1/20 0.40
KIF11 P52732 4/20 0.40
GNRHR P30968 4/20 0.40
NR3C1 P04150 3/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C9 P11712 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL1893088 0.90 GNRHR (0.41) TRPM8GAAKIF11GNRHRNR3C1
SCHEMBL12663015 0.90 PTGDR2 (0.46) PTGDR2TRPM8GAAGNRHRTHRB
SCHEMBL1885597 0.89 PTGDR2 (0.45) PTGDR2TRPM8GAAGNRHRTHRB
SCHEMBL12663021 0.88 PTGDR2 (0.45) PTGDR2TRPM8GAAGNRHRTHRB
SCHEMBL1888333 0.88 PTGDR2 (0.49) PTGDR2TRPM8GAAGNRHRNR3C1
SCHEMBL1884991 0.87 PTGDR2 (0.44) PTGDR2TRPM8GAAGNRHRTHRB
SCHEMBL1890219 0.86 TRPM8 (0.47) PTGDR2TRPM8GAAGNRHRNR3C1
SCHEMBL1887747 0.86 PTGDR2 (0.42) PTGDR2TRPM8GAAGNRHRTHRB
SCHEMBL1891095 0.85 TRPM8 (0.49) PTGDR2TRPM8GAAGNRHRTHRB
SCHEMBL1887924 0.84 MEN1 (0.47) PTGDR2TRPM8GAAGNRHRNR3C1

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 10 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-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 PTGDR2 3/4885TRPM8 771/4885GAA 2397/4885
US-20110105573-A1 BENZIMIDAZOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF HRH2, TBXA2R, PTGDR2 PTGDR2 3/4885TRPM8 771/4885GAA 2397/4885

“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.