SCHEMBL3036892

SCHEMBL3036892

CC(CO)Cc1c(F)cc(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
RIPK1 Q13546 1/20 0.34
TRPV3 Q8NET8 1/20 0.31
TSHR P16473 1/20 0.31
DPP4 P27487 1/20 0.31
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
APOL1 O14791 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
SCHEMBL21787333 0.87 HPGD (0.36) TRPA1RIPK1TRPV3
SCHEMBL21777383 0.87 HPGD (0.36) TRPA1RIPK1TRPV3
SCHEMBL12304304 0.79 HPGD (0.34) RIPK1DPP4TAAR1
SCHEMBL3036888 0.78 RIPK1 (0.34) RIPK1DPP4CES2CES1
SCHEMBL14457240 0.78 TRPA1 (0.42) TRPA1TRPV3TSHR
SCHEMBL22558873 0.77 TRPA1 (0.37) TRPA1TRPV3TSHR
SCHEMBL3904974 0.76 IDO1 (0.43) TRPA1RIPK1DPP4CES2CES1
SCHEMBL25946401 0.76 DPP4 (0.39) DPP4TAAR1
SCHEMBL3021249 0.76 RIPK1 (0.32) RIPK1DPP4
SCHEMBL527729 0.72 TSHR (0.36) TRPA1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 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-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO 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 (5 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 TRPA1 236/4885RIPK1 1851/4885TRPV3 1430/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TRPA1 1519/4885RIPK1 961/4885TRPV3 2636/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TRPA1 1634/4885RIPK1 815/4885TRPV3 2663/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 TRPA1 1496/4885RIPK1 2904/4885TRPV3 2914/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 TRPA1 831/4885RIPK1 3613/4885TRPV3 1713/4885

“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.