SCHEMBL14741015

SCHEMBL14741015

CN(C)c1ccc(-c2[nH]c(=O)c(C(=O)O)c(O)c2C2CC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SERPINE1 P05121 3/20 0.35
TOP1 P11387 2/20 0.35
NPC1 O15118 2/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GUSB P08236 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
MPL P40238 1/20 0.34
GSK3B P49841 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
WNT3A P56704 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
APLNR P35414 1/20 0.33
MMP13 P45452 1/20 0.32

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
SCHEMBL14741225 0.94 EPHX1 (0.36) SERPINE1TOP1NPC1MEN1POLB
SCHEMBL14740995 0.82 NPC1 (0.38) SERPINE1TOP1NPC1MEN1POLB
SCHEMBL27962152 0.79 GSK3B (0.41) TOP1NPC1MEN1POLBKMT2A
SCHEMBL14741193 0.79 TOP1 (0.36) SERPINE1TOP1NPC1MEN1POLB
SCHEMBL14741090 0.79 TOP1 (0.38) SERPINE1TOP1NPC1MEN1POLB
SCHEMBL14740841 0.79 MAPT (0.36) SERPINE1TOP1NPC1MEN1POLB
SCHEMBL14744726 0.77 MAPT (0.36) SERPINE1TOP1NPC1MEN1POLB
SCHEMBL14741057 0.77 PPARG (0.39) TOP1NPC1MEN1POLBKMT2A
SCHEMBL14745288 0.77 MAPT (0.36) SERPINE1TOP1NPC1MEN1POLB
SCHEMBL14741284 0.77 TOP1 (0.34) SERPINE1TOP1NPC1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US claimed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US claimed
CN-103889223-A Antibacterial compounds and methods for use PTC THERAPEUTICS INC 2014-06-25 CN claimed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
US-9650395-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2017-05-16 US disclosed
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US disclosed
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 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 (1 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-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PTGS1 1374/4885PTGS2 1727/4885SERPINE1 3161/4885

“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.