SCHEMBL14745000

SCHEMBL14745000

CCc1c(-c2ccc(N3C[C@H]4CC(NCc5ccccc5)C[C@H]4C3)cc2)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
KCNH2 Q12809 1/20 0.34
HTT P42858 2/20 0.33
KIF11 P52732 2/20 0.33
APLNR P35414 1/20 0.33
VEGFA P15692 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 2/20 0.32
DPP7 Q9UHL4 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
GAA P10253 1/20 0.31
EGFR P00533 1/20 0.31
SMN1; SMN2 Q16637 2/20 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
SCHEMBL14744997 1.00 THRB (0.36) THRBKCNH2HTTKIF11APLNR
SCHEMBL14744999 1.00 THRB (0.36) THRBKCNH2HTTKIF11APLNR
SCHEMBL14745653 0.84 KCNH2 (0.38) KCNH2HTTKIF11APLNRDPP8
SCHEMBL14745649 0.84 KCNH2 (0.38) KCNH2HTTKIF11APLNRDPP8
SCHEMBL14745652 0.84 KCNH2 (0.38) KCNH2HTTKIF11APLNRDPP8
SCHEMBL14745664 0.84 KCNH2 (0.38) KCNH2HTTSMN1; SMN2
SCHEMBL14745662 0.84 KCNH2 (0.38) KCNH2HTTSMN1; SMN2
SCHEMBL14745666 0.84 KCNH2 (0.38) KCNH2HTTSMN1; SMN2
SCHEMBL14745795 0.81 KCNH2 (0.39) KCNH2HTTKIF11PARP1PARP2
SCHEMBL14758922 0.81 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 6 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
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 THRB 4518/4885KCNH2 3306/4885HTT 4310/4885

“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.