SCHEMBL14745831

SCHEMBL14745831

CC#Cc1c(-c2ccc(N(C)C)cc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
TOP1 P11387 2/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 5/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 3/20 0.34
GUSB P08236 1/20 0.34
HPGD P15428 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GSK3B P49841 1/20 0.33
NOX1 Q9Y5S8 1/20 0.33
SERPINE1 P05121 1/20 0.32
MPL P40238 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HDAC1 Q13547 1/20 0.31

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
SCHEMBL14740995 0.81 NPC1 (0.38) TOP1NPC1MEN1KMT2APOLB
SCHEMBL14741193 0.78 TOP1 (0.36) FFAR1TOP1NPC1MEN1KMT2A
SCHEMBL14741090 0.78 TOP1 (0.38) TOP1NPC1MEN1KMT2APOLB
SCHEMBL27962152 0.78 GSK3B (0.41) TOP1NPC1MEN1KMT2APOLB
SCHEMBL14740841 0.78 MAPT (0.36) TOP1NPC1MEN1KMT2APOLB
SCHEMBL14741015 0.77 PTGS1 (0.36) TOP1NPC1MEN1KMT2APOLB
SCHEMBL14741057 0.76 PPARG (0.39) TOP1NPC1MEN1KMT2APOLB
SCHEMBL14745288 0.76 MAPT (0.36) TOP1NPC1MEN1KMT2APOLB
SCHEMBL14744726 0.76 MAPT (0.36) TOP1NPC1MEN1KMT2APOLB
SCHEMBL14741284 0.76 TOP1 (0.34) FFAR1TOP1NPC1MEN1KMT2A

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 13 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
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
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
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 FFAR1 4385/4885TOP1 101/4885NPC1 1233/4885

“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.