SCHEMBL3028480

SCHEMBL3028480

Cc1cc(C(F)(F)F)ccc1[O]

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.42
MAPT P10636 1/20 0.42
KIF11 P52732 2/20 0.41
CES2 O00748 2/20 0.41
NOTUM Q6P988 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39
PTPN5 P54829 1/20 0.39
NOS3 P29474 1/20 0.39
NOS2 P35228 1/20 0.39
KDM4E B2RXH2 2/20 0.38
BACE1 P56817 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL2862799 0.78 TSHR (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL1755260 0.77 PDE2A (0.46) PDE2AMAPTKIF11CES2NOTUM
SCHEMBL5537111 0.76 CES2 (0.55) CES2MEN1KMT2ADAOPTPN5
SCHEMBL171040 0.76 PDE2A (0.50) PDE2AKIF11MEN1KMT2AALDH1A1
SCHEMBL7298405 0.76 CES2 (0.55) PDE2AMAPTKIF11CES2MEN1
SCHEMBL2839879 0.76 PDE2A (0.47) PDE2ACES2MEN1KMT2ADAO
SCHEMBL21131180 0.75 CYP1A2 (0.47) PDE2AMAPTKIF11NOTUMPTPN5
SCHEMBL3755658 0.74 PDE2A (0.48) PDE2AMAPTCES2MEN1KMT2A
SCHEMBL1538943 0.73 PDE2A (0.56) PDE2AMAPTKIF11CES2NOTUM
SCHEMBL20994072 0.73 PDE2A (0.43) PDE2AMAPTKIF11CES2NOTUM

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 20 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
EP-2021327-A2 ANTIDIABETIC BICYCLIC COMPOUNDS Merck & Co., Inc. (US) 2009-02-11 EP disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
WO-2007136573-A2 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-29 WO 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
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
EP-1054877-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-11-29 EP disclosed
WO-1999041246-A1 NOVEL CYCLIC SULFONAMIDE DERIVATIVES AS METALLOPROTEINASE INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1999-08-19 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 PDE2A 4482/4885MAPT 4315/4885KIF11 3552/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 PDE2A 3632/4885MAPT 4294/4885KIF11 4615/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 PDE2A 3153/4885MAPT 4610/4885KIF11 4693/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 PDE2A 4062/4885MAPT 4866/4885KIF11 4060/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 PDE2A 3009/4885MAPT 4163/4885KIF11 2980/4885

“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.