SCHEMBL8915136

SCHEMBL8915136

CS(=O)(=O)Nc1ccc(Oc2ccc(COc3ccc(C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KIF11 P52732 1/20 0.49
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48
LIPE Q05469 2/20 0.47
LMNA P02545 1/20 0.46
CACNA1H O95180 1/20 0.44
CACNA1B Q00975 1/20 0.44
MAOB P27338 4/20 0.44
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
IDO1 P14902 1/20 0.43
SCN9A Q15858 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL8913299 0.87 SLC6A2 (0.50) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL12451890 0.86 AR (0.55) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL14037412 0.80 PGR (0.50) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL6160057 0.79 PGR (0.49) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL3138550 0.79 MAOB (0.69) RAB9ALIPELMNAMAOBMAPT
SCHEMBL3111013 0.78 KIF11 (0.73) ARKIF11SLC6A2SLC6A4SLC6A3
SCHEMBL3143611 0.76 MAPT (0.68) RAB9ALIPEMAOBGAAMAPT
SCHEMBL18164599 0.76 MAOB (0.55) SMN1; SMN2LIPEMAOB
SCHEMBL12451892 0.74 AR (0.46) ARNPC1HPGDRAB9ASMN1; SMN2
SCHEMBL18161378 0.74 MAOB (0.52) LIPEMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
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 (3 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 AR 254/4885NPC1 1029/4885HPGD 2527/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 AR 1307/4885NPC1 1397/4885HPGD 733/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 AR 189/4885NPC1 2588/4885HPGD 1282/4885

“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.