SCHEMBL14745107

SCHEMBL14745107

CCc1c(-c2ccc(N3CC[C@@H](OC4CCCCO4)C3)cc2)[nH]c(=O)c(C(=O)OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
ACACB O00763 3/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TLR8 Q9NR97 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PIM1 P11309 1/20 0.31
CLK2 P49760 1/20 0.31
MAP4K2 Q12851 1/20 0.31
CAMK2D Q13557 1/20 0.31
DYRK1A Q13627 1/20 0.31
PIM3 Q86V86 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
SCHEMBL14745803 0.79 DCTPP1 (0.40) KCNH2LMNAGAAMAPTALDH1A1
SCHEMBL14745449 0.76 GAA (0.38) KCNH2LMNAGAAMAPTALDH1A1
SCHEMBL14746226 0.74 KCNH2 (0.42) KCNH2USP2TLR8TLR7
SCHEMBL14744787 0.73 PRKAG1 (0.33) KCNH2LMNAGAAMAPTALDH1A1
SCHEMBL14745623 0.73 P2RX3 (0.34) LMNAGAAMAPTALDH1A1KDM4E
SCHEMBL16568280 0.72 TLR9 (0.40) LMNAGAAMAPTTLR8TLR7
SCHEMBL14758733 0.72 KCNH2 (0.44) KCNH2USP2TLR8TLR7
SCHEMBL16972737 0.72 KCNH2 (0.59) KCNH2LMNATLR8TLR7PRKD3
Hydrochloric Acid SCHEMBL14745568 0.71 KCNH2 (0.43) KCNH2USP2TLR8TLR7
SCHEMBL14741188 0.71 KCNH2 (0.46) KCNH2MAPTUSP2

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 KCNH2 3306/4885ACACB 1454/4885LMNA 2119/4885

“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.