SCHEMBL14745407

SCHEMBL14745407

CCc1ccc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
PDE9A O76083 1/20 0.37
FEN1 P39748 2/20 0.35
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 2/20 0.33
ITK Q08881 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
FFAR1 O14842 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 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
SCHEMBL14744838 0.92 DAO (0.43) DAOPDE9AFEN1CASP3SENP8
SCHEMBL14745595 0.91 FFAR1 (0.42) DAOMEN1KMT2ANPSR1FFAR1
SCHEMBL14741336 0.89 DAO (0.51) DAOPDE9AFEN1CASP3SENP8
SCHEMBL14745708 0.86 FFAR1 (0.42) DAOPARP1KCNH2MEN1KMT2A
SCHEMBL14745184 0.86 KDM4E (0.44) MEN1MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL14745316 0.84 FFAR1 (0.44) FFAR1
SCHEMBL14745557 0.81 KDM4E (0.44) DAOMEN1MAPTKMT2AFFAR1
SCHEMBL14744817 0.80 HSD17B10 (0.33) DAOMAPTNPSR1FFAR1ALDH1A1
SCHEMBL14745090 0.80 FFAR1 (0.44) DAOFFAR1
SCHEMBL14745347 0.77 DAO (0.38) DAOPDE9AFEN1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033258-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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP DAO 558/4885PDE9A 2608/4885FEN1 949/4885

“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.