SCHEMBL2643376

SCHEMBL2643376

CCOC(=O)c1cc2cc(OC(F)(F)F)ccc2n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.43
ELANE P08246 2/20 0.43
MAOB P27338 1/20 0.42
PTGES O14684 2/20 0.41
PLA2G10 O15496 5/20 0.39
PLA2G2A P14555 4/20 0.39
PLA2G5 P39877 4/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
CRHBP P24387 1/20 0.39
KMT2A Q03164 1/20 0.39
CRHR2 Q13324 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 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
SCHEMBL3009731 0.85 PTGES (0.52) GCGRMAOBPTGESMAPTPOLB
SCHEMBL2643000 0.83 GCGR (0.45) GCGRPTGESPLA2G10PLA2G2APLA2G5
SCHEMBL3575743 0.81 PLA2G10 (0.54) GCGRELANEPLA2G10PLA2G2APLA2G5
SCHEMBL15670291 0.80 L3MBTL1 (0.56) ELANEKDM4EMEN1MAPTKMT2A
SCHEMBL23886812 0.79 L3MBTL1 (0.48) MAOBKDM4EMEN1MAPTKMT2A
SCHEMBL30176410 0.79 L3MBTL1 (0.48) MAOBKDM4EMEN1MAPTKMT2A
SCHEMBL4228507 0.78 SCN9A (0.48) PTGES
SCHEMBL17647214 0.76 MAPT (0.51) PLA2G10KDM4EMEN1MAPTKMT2A
SCHEMBL3571641 0.76 PTGES (0.53) MAOBPTGESKDM4EMEN1HSP90AA1
SCHEMBL4922786 0.76 PTGES (0.62) GCGRMAOBPTGESMAPTPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598398-B2 Acyl indoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-10-06 US disclosed
EP-1951669-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007047177-A1 ACYL INDOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2007-04-26 WO disclosed
US-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2007-04-19 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-20070088071-A1 Acyl indoles, compositions containing such compounds and methods of use GPR119, IAPP, GLP1R GCGR 6/4885ELANE 2330/4885MAOB 235/4885

“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.