SCHEMBL14758583

SCHEMBL14758583

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
CNR2 P34972 1/20 0.32
PARP1 P09874 2/20 0.31
PARP2 Q9UGN5 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PHGDH O43175 1/20 0.31
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
PIM1 P11309 1/20 0.30
CLK2 P49760 1/20 0.30
MAP4K2 Q12851 1/20 0.30
CAMK2D Q13557 1/20 0.30
DYRK1A Q13627 1/20 0.30

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
SCHEMBL16568103 1.00 KCNH2 (0.33) KCNH2PDE3BPDE3ACDK1CDK2
SCHEMBL14758585 1.00 KCNH2 (0.33) KCNH2PDE3BPDE3ACDK1CDK2
SCHEMBL16567836 1.00 KCNH2 (0.33) KCNH2PDE3BPDE3ACDK1CDK2
Hydrochloric Acid SCHEMBL14745286 0.99 KCNH2 (0.33) KCNH2PDE3BPDE3ACDK1CDK2
Trifluoroacetic Acid SCHEMBL14745071 0.95 DPP4 (0.35) KCNH2PDE3BPDE3APARP1PARP2
SCHEMBL14745244 0.94 KCNH2 (0.36) KCNH2PDE3BPDE3ACDK1CDK2
SCHEMBL14745375 0.89 PDE3B (0.37) KCNH2PDE3BPDE3ACNR2PARP1
SCHEMBL14745248 0.88 KCNH2 (0.36) KCNH2PDE3BPDE3ACNR2PARP1
SCHEMBL16568460 0.87 KCNH2 (0.34) KCNH2PDE3BPDE3ACNR2PARP1
SCHEMBL14758913 0.87 KCNH2 (0.34) KCNH2PDE3BPDE3ACNR2PARP1

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 5 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-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
US-20150080362-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-03-19 US 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 KCNH2 3306/4885PDE3B 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.