SCHEMBL14745653

SCHEMBL14745653

CCc1c(-c2ccc(N3C[C@H]4CC(N(Cc5ccccc5)Cc5ccccc5)C[C@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
MCHR1 Q99705 1/20 0.33
KIF11 P52732 2/20 0.33
RORC P51449 1/20 0.33
DPP8 Q6V1X1 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
APLNR P35414 3/20 0.31
GAA P10253 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL14745649 1.00 KCNH2 (0.38) KCNH2MCHR1KIF11RORCDPP8
SCHEMBL14745652 1.00 KCNH2 (0.38) KCNH2MCHR1KIF11RORCDPP8
SCHEMBL14745901 0.88 KCNH2 (0.44) KCNH2MCHR1KIF11RORCGAA
SCHEMBL14744999 0.84 THRB (0.36) KCNH2KIF11DPP8DPP7APLNR
SCHEMBL14745000 0.84 THRB (0.36) KCNH2KIF11DPP8DPP7APLNR
SCHEMBL14744997 0.84 THRB (0.36) KCNH2KIF11DPP8DPP7APLNR
SCHEMBL14745664 0.84 KCNH2 (0.38) KCNH2HTTSMN1; SMN2
SCHEMBL14745662 0.84 KCNH2 (0.38) KCNH2HTTSMN1; SMN2
SCHEMBL14745666 0.84 KCNH2 (0.38) KCNH2HTTSMN1; SMN2
SCHEMBL14741122 0.83 KCNH2 (0.38) KCNH2MCHR1KIF11RORCAPLNR

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 8 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
WO-2016039936-A2 MONOCYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO 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 KCNH2 3306/4885MCHR1 4817/4885KIF11 4448/4885

“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.