SCHEMBL8913031

SCHEMBL8913031

CCOC(=O)CCc1ccc(Oc2ccc(NS(C)(=O)=O)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
P2RX3 P56373 6/20 0.44
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
CACNA1F O60840 1/20 0.42
CHRM2 P08172 1/20 0.42
ACHE P22303 1/20 0.42
AGTR1 P30556 1/20 0.42
DRD3 P35462 1/20 0.42
CACNA1D Q01668 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1S Q13698 1/20 0.42
CACNA1C Q13936 1/20 0.42
ACACB O00763 4/20 0.41
CYP4Z1 Q86W10 1/20 0.41
MAPT P10636 1/20 0.40
ACACA Q13085 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
GFER P55789 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
SCHEMBL3142629 0.86 CYP4F2 (0.48) CYP4F2CYP4A11P2RX3ACACBCYP4Z1
SCHEMBL8864614 0.83 CYP4F2 (0.60) CYP4F2CYP4A11HPGDRECQLCACNA1F
SCHEMBL3138642 0.81 P2RX3 (0.45) CYP4F2CYP4A11P2RX3ACACBCYP4Z1
SCHEMBL3146690 0.80 CYP4F2 (0.51) CYP4F2CYP4A11ACACBCYP4Z1ACACA
SCHEMBL3147539 0.80 P2RX3 (0.46) CYP4F2CYP4A11P2RX3
SCHEMBL3147179 0.80 RAB9A (0.49) P2RX3HPGDACACBMAPTGFER
SCHEMBL3137929 0.79 IDH1 (0.46) TDP1
SCHEMBL3134853 0.79 NPC1 (0.48) HPGDKCNH2ACACBMAPTACACA
SCHEMBL3134816 0.78 FFAR1 (0.50) CYP4F2CYP4A11P2RX3MAPTTDP1
SCHEMBL3147138 0.77 P2RX3 (0.44) CYP4F2CYP4A11P2RX3ACACB

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-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 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-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 CYP4F2 2279/4885CYP4A11 1486/4885P2RX3 2435/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 CYP4F2 435/4885CYP4A11 183/4885P2RX3 1097/4885

“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.