SCHEMBL403812

SCHEMBL403812

FC(F)(F)Oc1ccc(C#Cc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.50
FFAR1 O14842 3/20 0.49
ACACB O00763 1/20 0.46
MAPT P10636 2/20 0.45
EPM2A O95278 1/20 0.44
PTPRC P08575 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPRG P23470 1/20 0.44
ACP1 P24666 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN9 P43378 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTPN13 Q12923 1/20 0.44
DUSP22 Q9NRW4 1/20 0.44
CDC14A Q9UNH5 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
MMP2 P08253 1/20 0.44

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
SCHEMBL28659226 0.91 ACACB (0.50) APPFFAR1ACACBMAPTEPM2A
SCHEMBL2232071 0.82 APP (0.57) APPFFAR1ACACBMAPTMAOB
SCHEMBL10300052 0.82 APP (0.57) APPACACBGRIN2BMAOBAOC3
SCHEMBL17225200 0.82 ACACB (0.48) APPFFAR1ACACBMAPTMMP2
SCHEMBL6117721 0.81 MAPT (0.44) MAPTKIF11EPHX2
SCHEMBL29120766 0.81 FFAR1 (0.42) FFAR1ACACBMAPTEPM2APTPRC
SCHEMBL6860168 0.79 PTPN22 (0.51) FFAR1ACACBEPM2APTPRCPTPN2
SCHEMBL168125 0.79 KIF11 (0.47) MAPTKIF11GRIN2BEPHX2SLC7A5
SCHEMBL16582448 0.79 ACACB (0.46) APPACACBMAPTKIF11MAOB
SCHEMBL6141202 0.79 ACACB (0.42) FFAR1ACACBMAPTEPM2APTPRC

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617256-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-04-11 US disclosed
US-20170088549-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-03-30 US disclosed
CN-101765585-B Antibacterial agent 尔察祯有限公司 2017-03-15 CN disclosed
EP-2170814-B1 ANTIBACTERIAL AGENTS ACHAOGEN INC (US) 2016-08-17 EP disclosed
EP-2295402-B1 Antibacterial agents UNIV WASHINGTON (US) 2015-08-12 EP disclosed
EP-2662353-A2 Antibacterial agents Achaogen, Inc. (US) 2013-11-13 EP disclosed
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 US disclosed
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 US disclosed
US-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 US disclosed
EP-1618087-A4 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2007-01-31 EP disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 US disclosed
EP-1618087-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2006-01-25 EP disclosed
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, UNIVERSITY OF WASHINGTON 2004-11-18 US disclosed
WO-2004062601-A2 ANTIBACTERIAL AGENTS CHIRON CORPORATION (US) 2004-07-29 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 (6 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS APP 4303/4885FFAR1 1540/4885ACACB 3199/4885
US-20040229955-A1 intracellular inhibition of bacterial polypeptide deformylase in gramnegative bacteria, PDF, DDOST, MRPL21 APP 3766/4885FFAR1 1750/4885ACACB 2578/4885
US-20170088549-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 APP 4371/4885FFAR1 1753/4885ACACB 3224/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS APP 4303/4885FFAR1 1540/4885ACACB 3199/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS APP 4303/4885FFAR1 1540/4885ACACB 3199/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS APP 4303/4885FFAR1 1540/4885ACACB 3199/4885

“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.