SCHEMBL14745405

SCHEMBL14745405

CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc2c(c1)CCCN2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
GAA P10253 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
CASP7 P55210 1/20 0.38
MCL1 Q07820 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TNKS O95271 2/20 0.38
PARP1 P09874 2/20 0.38
TNKS2 Q9H2K2 2/20 0.38
CREBBP Q92793 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PDK1 Q15118 1/20 0.36

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
SCHEMBL14758249 0.94 NOTUM (0.41) GAAKDM4EALDH1A1MAPTCREBBP
SCHEMBL14745042 0.89 ALDH1A1 (0.41) KCNH2GAAHPGDKDM4ECASP1
SCHEMBL14740926 0.82 NOTUM (0.46) GAAHPGDKDM4ECASP1ALOX15
SCHEMBL14745164 0.82 KCNH2 (0.37) KCNH2GAAHPGDKDM4ECASP1
SCHEMBL16440969 0.81 NOTUM (0.44) GAAALOX15ALDH1A1MAPTNOTUM
SCHEMBL14744803 0.77 ALDH1A1 (0.45) KCNH2GAAHPGDKDM4ECASP1
SCHEMBL16428749 0.75 NOTUM (0.39) GAAUSP2MAPTCREBBPNOTUM
SCHEMBL14741255 0.74 NOTUM (0.43) GAAHPGDKDM4ECASP1ALOX15
SCHEMBL14741280 0.74 PARP1 (0.39) KCNH2GAAHPGDKDM4ECASP1
SCHEMBL14757868 0.74 ALOX5 (0.42) HPGDKDM4EHSD17B10ALDH1A1KMT2A

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 9 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 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
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 KCNH2 3306/4885GAA 91/4885HPGD 1279/4885

“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.