SCHEMBL8913299

SCHEMBL8913299

Cc1cc(NS(C)(=O)=O)ccc1Oc1ccc(COc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CYP17A1 P05093 2/20 0.43
AR P10275 2/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PPARD Q03181 7/20 0.42
PPARA Q07869 2/20 0.42
KIF11 P52732 2/20 0.40
LIPE Q05469 1/20 0.40
IDO1 P14902 1/20 0.39
MAOB P27338 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
SCHEMBL12451892 0.89 AR (0.46) SLC6A2SLC6A4SLC6A3CYP17A1AR
SCHEMBL8915136 0.87 AR (0.51) SLC6A2SLC6A4SLC6A3ARNPC1
SCHEMBL3133341 0.81 MAOB (0.54) HPGDRAB9APPARDPPARALIPE
SCHEMBL3135081 0.79 MAPT (0.53) RAB9APPARDPPARALIPEMAOB
SCHEMBL12451890 0.76 AR (0.55) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18164599 0.71 MAOB (0.55) SMN1; SMN2LIPEMAOB
SCHEMBL3138550 0.69 MAOB (0.69) RAB9ALIPEMAOB
SCHEMBL11306168 0.69 LMNA (0.57) NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18161378 0.69 MAOB (0.52) PPARDPPARALIPEMAOB
SCHEMBL14037412 0.68 PGR (0.50) ARNPC1HPGDRAB9ASMN1; SMN2

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 8 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-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-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-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

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 SLC6A2 4260/4885SLC6A4 3735/4885SLC6A3 3196/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 SLC6A2 3741/4885SLC6A4 3049/4885SLC6A3 4136/4885

“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.