SCHEMBL14745189

SCHEMBL14745189

CCc1c(-c2ccc(N3C[C@@H](O)[C@@H](O)C3)cc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
POLB P06746 1/20 0.32
CDK1 P06493 1/20 0.32
CDK2 P24941 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
CDK4 P11802 2/20 0.32
CCND1 P24385 2/20 0.32
KIF11 P52732 2/20 0.32
APLNR P35414 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
AURKA O14965 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
FYN P06241 1/20 0.31
RET P07949 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 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
SCHEMBL16568499 0.89 KCNH2 (0.39) KCNH2POLBADORA2AADORA2BSMN1; SMN2
SCHEMBL14758922 0.89 BPTF (0.39) KCNH2CDK4CCND1
SCHEMBL16568500 0.89 KCNH2 (0.39) KCNH2POLBADORA2AADORA2BSMN1; SMN2
SCHEMBL14758918 0.89 KCNH2 (0.39) KCNH2POLBADORA2AADORA2BSMN1; SMN2
SCHEMBL14745795 0.89 KCNH2 (0.39) KCNH2ADORA2AADORA2BKIF11SMN1; SMN2
SCHEMBL14745632 0.88 KCNH2 (0.38) KCNH2POLBADORA2AADORA2BKIF11
Hydrochloric Acid SCHEMBL16568086 0.88 KCNH2 (0.38) KCNH2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL16568088 0.88 KCNH2 (0.38) KCNH2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL16568087 0.88 KCNH2 (0.38) KCNH2SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL14746075 0.88 BPTF (0.39) KCNH2

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 11 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
EP-2750505-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
WO-2013033240-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
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
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 KCNH2 3306/4885POLB 84/4885CDK1 4673/4885

“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.