SCHEMBL2997367

SCHEMBL2997367

CC(C)Oc1ccc(B(O)O)cc1OC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.41
KCNK9 Q9NPC2 2/20 0.41
PDE2A O00408 1/20 0.35
MGLL Q99685 2/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
ABL1 P00519 1/20 0.34
APP P05067 1/20 0.33
GRM7 Q14831 1/20 0.32
EPHX2 P34913 1/20 0.32
ENPP2 Q13822 3/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
RORC P51449 1/20 0.31
CSNK2A1 P68400 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ACHE P22303 1/20 0.30
CASR P41180 1/20 0.30

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
SCHEMBL29953216 0.82 ENPP2 (0.41) KCNK3KCNK9PDE2AMGLLABL1
SCHEMBL29955074 0.79 RXRA (0.49) MGLLRXRARXRBRXRG
SCHEMBL15194036 0.79 RXRA (0.49) MGLLRXRARXRBRXRG
SCHEMBL20638904 0.79 ENPP2 (0.41) KCNK3KCNK9PDE2AMGLLABL1
SCHEMBL16961538 0.77 KCNK3 (0.42) KCNK3KCNK9PDE2ARXRARXRB
SCHEMBL5636990 0.77 ENPP2 (0.42) ENPP2CA1CA2ACHE
SCHEMBL29953617 0.77 MGLL (0.38) PDE2AMGLLABL1EPHX2ENPP2
SCHEMBL9258 0.77 KCNQ3 (0.39) ENPP2CA1CA2RORCCSNK2A1
SCHEMBL641972 0.77 SCN5A (0.39) PDE2AMGLLABL1EPHX2ENPP2
SCHEMBL2852131 0.76 TSHR (0.38) ENPP2CSNK2A1ALDH1A1

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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 US disclosed
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 US disclosed
EP-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
EP-1841736-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-10 EP disclosed
WO-2006077367-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 KCNK3 3174/4885KCNK9 3822/4885PDE2A 2561/4885
US-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 KCNK3 2803/4885KCNK9 3668/4885PDE2A 2404/4885

“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.