SCHEMBL3137929

SCHEMBL3137929

CCOC(=O)CCc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 3/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1B Q00975 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
AR P10275 1/20 0.45
IDO1 P14902 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.42
DAGLA Q9Y4D2 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42

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
SCHEMBL3142609 0.85 IDH1 (0.46) IDH1CACNA1HCACNA1BARPOLB
SCHEMBL4761234 0.81 PPARA (0.47) CACNA1HCACNA1BPLAAT3PLAAT5PLAAT2
SCHEMBL8913031 0.79 CYP4F2 (0.45) TDP1
SCHEMBL3142629 0.76 CYP4F2 (0.48)
SCHEMBL16839939 0.76 LMNA (0.48) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL3138196 0.75 LMNA (0.50) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL3138642 0.74 P2RX3 (0.45)
SCHEMBL16839900 0.74 LMNA (0.54) PLAAT3PLAAT5PLAAT2PLAAT4LMNA
SCHEMBL5646521 0.74 CYP4F2 (0.66) PLAAT3PLAAT5PLAAT2PLAAT4KDM4E
SCHEMBL9304488 0.74 LMNA (0.58) PLAAT3PLAAT5PLAAT2PLAAT4LMNA

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 7 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-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
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 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 (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 IDH1 260/4885CACNA1H 3345/4885CACNA1B 2634/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 IDH1 23/4885CACNA1H 2957/4885CACNA1B 4074/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 IDH1 584/4885CACNA1H 3853/4885CACNA1B 3641/4885

“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.