SCHEMBL1963234

SCHEMBL1963234

CC(C)Oc1ccc(C#N)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.42
FFAR1 O14842 1/20 0.41
EIF4E P06730 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
MEN1 O00255 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
KMT2A Q03164 1/20 0.38
ESRRA P11474 1/20 0.38
AR P10275 3/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
NCEH1 Q6PIU2 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A9 P48067 2/20 0.36
XDH P47989 2/20 0.36
TBXA2R P21731 1/20 0.36
KCNH2 Q12809 1/20 0.35

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
SCHEMBL27938680 0.83 NR3C1 (0.43) NR3C1FFAR1ESRRAXDH
SCHEMBL12619038 0.82 NR3C1 (0.45) NR3C1FFAR1MKNK2SLC6A9KCNH2
SCHEMBL16955745 0.82 XDH (0.36) NR3C1HTR2AHTR2CHTR2BXDH
SCHEMBL22658071 0.82 NR3C1 (0.39) NR3C1FFAR1MEN1TTRALB
SCHEMBL29408152 0.82 NR3C1 (0.39) NR3C1FFAR1MEN1TTRALB
SCHEMBL2111495 0.81 PTGDR2 (0.51) NR3C1FFAR1KMT2ANCEH1HTR2A
SCHEMBL21079169 0.80 XDH (0.49) XDH
SCHEMBL10088433 0.80 AR (0.44) EIF4EMKNK1MKNK2ESRRAAR
SCHEMBL30118209 0.79 AR (0.51) FFAR1MEN1TTRALBKMT2A
SCHEMBL708391 0.79 AR (0.51) FFAR1MEN1TTRALBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103333134-A 2-(3-cyano-4-alkoxy) phenyl-4-substituted thiazole-5-formic acid compound, composition as well as preparation methods and applications thereof UNIV SHENYANG PHARMACEUTICAL 2013-10-02 CN disclosed
EP-2509424-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2012-10-17 EP disclosed
US-20110207704-A1 Novel Oxadiazole Compounds ABBOTT LABORATORIES (US) 2011-08-25 US disclosed
WO-2011071570-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-16 WO disclosed
US-7834039-B2 Oxadiazole compounds ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
EP-2109364-A1 NOVEL OXADIAZOLE COMPOUNDS Abbott Laboratories (US) 2009-10-21 EP disclosed
US-20080280876-A1 Novel oxadiazole compounds ABBVIE INC. 2008-11-13 US disclosed
WO-2008076356-A1 NOVEL OXADIAZOLE COMPOUNDS ABBOTT LABORATORIES (US) 2008-06-26 WO disclosed
US-5877191-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS MERCK & CO., INC. (US) 1999-03-02 US disclosed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 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 (2 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-20110207704-A1 Novel Oxadiazole Compounds S1PR3, S1PR1, S1PR2 NR3C1 243/4885FFAR1 89/4885EIF4E 4001/4885
US-20080280876-A1 Novel oxadiazole compounds S1PR3, S1PR1, S1PR2 NR3C1 243/4885FFAR1 89/4885EIF4E 4001/4885

“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.