SCHEMBL14745510

SCHEMBL14745510

CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc(N2C[C@@H](O)[C@@H](O)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
GRM2 Q14416 2/20 0.35
ALDH1A1 P00352 4/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
OPRK1 P41145 2/20 0.35
KCNH2 Q12809 1/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CNR2 P34972 1/20 0.34
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 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
SCHEMBL14746079 0.89 PDE3B (0.40) MAPTPDE3BPDE3AKDM4EGLA
SCHEMBL14745328 0.89 KCNH2 (0.40) MAPTPDE3BPDE3AALDH1A1L3MBTL1
SCHEMBL14745244 0.87 KCNH2 (0.36) MAPTPDE3BPDE3AKDM4EGAA
SCHEMBL14745248 0.82 KCNH2 (0.36) MAPTPDE3BPDE3AKDM4EGAA
SCHEMBL16568103 0.82 KCNH2 (0.33) PDE3BPDE3AKDM4EGAAKCNH2
SCHEMBL14758583 0.82 KCNH2 (0.33) PDE3BPDE3AKDM4EGAAKCNH2
SCHEMBL14758585 0.82 KCNH2 (0.33) PDE3BPDE3AKDM4EGAAKCNH2
SCHEMBL16567836 0.82 KCNH2 (0.33) PDE3BPDE3AKDM4EGAAKCNH2
SCHEMBL14745075 0.82 PARP1 (0.31) MAPTPDE3BPDE3AKCNH2PARP1
Hydrochloric Acid SCHEMBL14745286 0.81 KCNH2 (0.33) PDE3BPDE3AKDM4EGAAKCNH2

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 4 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 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

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 MAPT 4110/4885PDE3B 2942/4885PDE3A 2531/4885

“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.