SCHEMBL3663616

SCHEMBL3663616

O=C(NC(=S)Nc1cc(Br)c(F)cc1F)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.60
PLK1 P53350 2/20 0.57
NPC1 O15118 4/20 0.53
KCNH2 Q12809 2/20 0.53
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 3/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL24769824 0.83 EPHX1 (0.57) EPHX1NPC1KCNH2ALDH1A1RAB9A
SCHEMBL30479195 0.81 EPHX1 (0.64) EPHX1PLK1NPC1KCNH2ALDH1A1
SCHEMBL23496704 0.81 EPHX1 (0.64) EPHX1PLK1NPC1KCNH2ALDH1A1
SCHEMBL30755365 0.80 EPHX1 (0.57) EPHX1PLK1NPC1KCNH2ALDH1A1
SCHEMBL27379823 0.80 EPHX1 (0.57) EPHX1PLK1NPC1KCNH2ALDH1A1
SCHEMBL3050543 0.80 EPHX1 (0.69) EPHX1PLK1NPC1ALDH1A1RAB9A
SCHEMBL11364578 0.80 RAB9A (0.72) EPHX1NPC1ALDH1A1RAB9AMAPT
SCHEMBL17856109 0.80 EPHX1 (0.69) EPHX1PLK1NPC1KCNH2ALDH1A1
SCHEMBL21712210 0.80 EPHX1 (0.61) EPHX1PLK1NPC1ALDH1A1RAB9A
SCHEMBL31389479 0.80 EPHX1 (0.59) EPHX1PLK1NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170260178-A1 ANTIBACTERIAL COMPOUNDS SPERO GYRASE INC (US) 2017-09-14 US disclosed
EP-2828257-B1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LTD (GB) 2017-07-26 EP disclosed
US-9604976-B2 Antibacterial compounds SPERO GYRASE, INC. (US) 2017-03-28 US disclosed
US-20150329530-A1 ANTIBACTERIAL COMPUNDS SPERO GYRASE, INC. 2015-11-19 US disclosed
EP-2828257-A1 ANTIBACTERIAL COMPOUNDS Biota Europe Ltd (GB) 2015-01-28 EP disclosed
CN-104302645-A Antibacterial compounds BIOTA EUROPE LTD 2015-01-21 CN disclosed
US-8906902-B2 Antibacterial compounds BIOTA EUROPE LIMITED (GB) 2014-12-09 US disclosed
US-20130252938-A1 Antibacterial Compounds BIOTA EUROPE LTD. (GB) 2013-09-26 US disclosed
WO-2013138860-A1 ANTIBACTERIAL COMPOUNDS BIOTA EUROPE LIMITED (GB) 2013-09-26 WO disclosed
EP-2231653-B1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2013-04-03 EP disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-8299065-B2 Antibacterial condensed thiazoles BIOTA EUROPE LTD. (GB) 2012-10-30 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES BIOTA EUROPE LTD (GB) 2010-12-02 US disclosed
EP-2231653-A1 ANTIBACTERIAL CONDENSED THIAZOLES Biota Europe Ltd (GB) 2010-09-29 EP disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 WO disclosed
WO-2009074812-A1 ANTIBACTERIAL CONDENSED THIAZOLES PROLYSIS LTD (GB) 2009-06-18 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 (4 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-20170260178-A1 ANTIBACTERIAL COMPOUNDS STS, PGLS, PEPD EPHX1 3112/4885PLK1 3708/4885NPC1 1870/4885
US-20150329530-A1 ANTIBACTERIAL COMPUNDS STS, PEPD, PGLS EPHX1 2962/4885PLK1 4013/4885NPC1 2454/4885
US-20130252938-A1 Antibacterial Compounds STS, PGLS, PEPD EPHX1 3112/4885PLK1 3708/4885NPC1 1870/4885
US-20100305067-A1 ANTIBACTERIAL CONDENSED THIAZOLES NEK6, NEK1, TXK EPHX1 3763/4885PLK1 1887/4885NPC1 2672/4885

“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.