SCHEMBL2704709

SCHEMBL2704709

NC(=O)c1c(F)ccc(OCc2nc(-c3ccc(Cl)cc3)c(Br)s2)c1F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.43
PPARD Q03181 8/20 0.41
FFAR4 Q5NUL3 4/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SCN9A Q15858 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16886207 0.93 PTGDR2 (0.35) PTGDR2PPARDPTGS1PTGS2NPC1
SCHEMBL4567006 0.91 PPARD (0.36) PTGDR2PPARD
SCHEMBL202352 0.89 PPARD (0.46) PPARD
SCHEMBL19471067 0.89 PPARD (0.44) PPARD
SCHEMBL202599 0.88 SCN9A (0.40) PTGDR2PPARDFFAR4SCN9ANPC1
SCHEMBL2704979 0.88 PTGDR2 (0.33) PTGDR2PPARDPTGS1PTGS2NPC1
SCHEMBL19471085 0.88 PPARD (0.45) PTGDR2PPARDFFAR4
SCHEMBL19471066 0.88 PPARD (0.44) PPARD
SCHEMBL2706591 0.84 PPARD (0.39) PPARDSCN9A
SCHEMBL201115 0.82 PPARD (0.44) PTGDR2PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS TAXIS PHARMACEUTICALS, INC. (US) 2017-10-26 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-20150191420-A1 ANTIBACTERIAL AGENTS TAXIS PHARMACEUTICALS, INC. 2015-07-09 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-8865736-B2 Antibacterial agents Biota Scientific Pty Ltd (AU) 2014-10-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20130072520-A2 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-03-21 US disclosed
US-20120122918-A1 ANTIBACTERIAL AGENTS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2012-05-17 US disclosed
US-8088791-B2 Antibacterial agents Biots Scientific Management Pty Ltd (AU) 2012-01-03 US disclosed
EP-1996180-B1 BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS BIOTA EUROPE LTD (GB) 2011-08-03 EP disclosed
US-20100173933-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2010-07-08 US disclosed
WO-2007107758-A1 ANTIBACTERIAL AGENTS PROLYSIS LTD (GB) 2007-09-27 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-20120122918-A1 ANTIBACTERIAL AGENTS ALK, ROS1, ARG1 PTGDR2 2035/4885PPARD 3683/4885FFAR4 2271/4885
US-20130072520-A2 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PTGDR2 2116/4885PPARD 3689/4885FFAR4 2301/4885
US-20150191420-A1 ANTIBACTERIAL AGENTS ALK, ARG1, ROS1 PTGDR2 1789/4885PPARD 3598/4885FFAR4 2025/4885
US-20170305943-A1 COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS ELANE, MMP8, NISCH PTGDR2 1177/4885PPARD 1754/4885FFAR4 3484/4885
US-20100173933-A1 ANTIBACTERIAL AGENTS ALK, ROS1, NOX1 PTGDR2 2116/4885PPARD 3689/4885FFAR4 2301/4885

“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.