SCHEMBL5541013

SCHEMBL5541013

OBOc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
EPHX2 P34913 1/20 0.47
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPV1 Q8NER1 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
MAOB P27338 1/20 0.40
AOC3 Q16853 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
BLM P54132 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
EPAS1 Q99814 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5534042 0.94 EPHX2 (0.44) MAPTEPHX2L3MBTL1KDM4ETRPV1
SCHEMBL249662 0.81 MAPT (0.45) MAPTEPHX2L3MBTL1KDM4ETRPV1
SCHEMBL14477632 0.80 MEN1 (0.33) KMT2AMEN1
SCHEMBL254957 0.80 MAPT (0.56) MAPTEPHX2L3MBTL1KDM4ETRPV1
SCHEMBL14551858 0.79 ALDH1A1 (0.41) MAPTALDH1A1ALOX15TSHRGPR3
SCHEMBL820257 0.77 KIF11 (0.44) TRPV1MAOBAOC3ALDH1A1TSHR
SCHEMBL12874081 0.77 MAPT (0.47) MAPTEPHX2L3MBTL1KDM4ETRPV1
SCHEMBL1393571 0.76 EPHX2 (0.42) MAPTEPHX2L3MBTL1KDM4ETRPV1
SCHEMBL26998948 0.75 AURKA (0.37) MAPTEPHX2GPR3AURKATPX2
SCHEMBL17407517 0.75 EPHX2 (0.47) MAPTEPHX2GPR3

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
US-9682998-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2017-06-20 US disclosed
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KYRAS THERAPEUTICS, INC. 2017-06-08 US disclosed
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2016-12-15 US disclosed
US-9403782-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2016-08-02 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-9206131-B2 Compounds having antiparasitic or anti-infectious activity OREGON HEALTH & SCIENCE UNIVERSITY (US) 2015-12-08 US disclosed
US-9181484-B2 Compound having 2-fluorophenyloxymethane structure DIC CORPORATION (JP) 2015-11-10 US disclosed
US-9161924-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-10-20 US disclosed
US-9115096-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-08-25 US disclosed
US-20150087847-A1 COMPOUND HAVING 2-FLUOROPHENYLOXYMETHANE STRUCTURE DIC CORPORATION (JP) 2015-03-26 US disclosed
US-8980916-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20140322195-A1 Factor IXA Inhibitors MERCK SHARP & DOHME LLC 2014-10-30 US disclosed
US-20140219989-A1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2014-08-07 US disclosed
US-20140045888-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2014-02-13 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2012-11-15 US disclosed
US-20120115904-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY OREGON HEALTH & SCIENCE UNIVERSITY 2012-05-10 US disclosed
US-20120010237-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY THE GOVERNMENT OF THE UNITED STATES OF AMERICA DBA THE DEPARTMENT OF VETERANS AFFAIRS 2012-01-12 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 (10 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-20140219989-A1 FACTOR IXA INHIBITORS F9, F12, F11 MAPT 3872/4885EPHX2 363/4885L3MBTL1 4779/4885
US-20140322195-A1 Factor IXA Inhibitors F9, F12, F11 MAPT 3872/4885EPHX2 363/4885L3MBTL1 4779/4885
US-20120010237-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY MASTL, RPS10, CBR3 MAPT 4854/4885EPHX2 754/4885L3MBTL1 1389/4885
US-20140045888-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY H1-10, RAB10, HDAC10 MAPT 4850/4885EPHX2 1576/4885L3MBTL1 1364/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 MAPT 4626/4885EPHX2 2160/4885L3MBTL1 3278/4885
US-20120115904-A1 COMPOUNDS HAVING ANTIPARASITIC OR ANTI-INFECTIOUS ACTIVITY H1-10, RAB10, HDAC10 MAPT 4850/4885EPHX2 1595/4885L3MBTL1 1393/4885
US-20120289493-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MAPT 4552/4885EPHX2 2039/4885L3MBTL1 4070/4885
US-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 MAPT 2660/4885EPHX2 4066/4885L3MBTL1 643/4885
US-20170158702-A1 MULTIVALENT RAS BINDING COMPOUNDS KRAS, HRAS, NRAS MAPT 3393/4885EPHX2 3556/4885L3MBTL1 2887/4885
US-20160362421-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, CACNA1A, KCNH2 MAPT 4552/4885EPHX2 2039/4885L3MBTL1 4070/4885

“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.