SCHEMBL2878161

SCHEMBL2878161

Cc1cccc2c1cc(B(O)O)n2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 13/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NR1H3 Q13133 3/20 0.36
GABRA1 P14867 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA6 Q16445 1/20 0.35
SLC9A1 P19634 1/20 0.35
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL29954668 1.00 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2873485 0.86 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL599783 0.86 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL2926879 0.85 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL759757 0.83 NR1H2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL29134465 0.82 L3MBTL1 (0.41) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL12422263 0.82 GABRG2 (0.38) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL12011423 0.82 NR1H2 (0.37) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18443763 0.81 CHRM2 (0.40) NR1H2CHRM2CHRM4CHRM1CHRM3
SCHEMBL18443554 0.81 NR1H2 (0.39) NR1H2CHRM2CHRM4CHRM1CHRM3

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
EP-2066628-B1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2010-10-20 EP disclosed
CN-101495449-A 2-phenyl-indoles as prostaglandin D2 receptor antagonists SANOFI AVENTIS (FR) 2009-07-29 CN disclosed
US-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2009-07-09 US disclosed
EP-2066628-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2009-06-10 EP disclosed
WO-2008014186-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2008-01-31 WO disclosed
EP-0429257-A2 Indole derivatives GLAXO GROUP LIMITED (GB) 1991-05-29 EP 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-20090176804-A1 2-PHENYL-INDOLES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, CYSLTR2 NR1H2 212/4885CHRM2 87/4885CHRM4 869/4885

“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.