SCHEMBL14745328

SCHEMBL14745328

CCc1cc(C(=O)OC)c(=O)[nH]c1-c1ccc(N2CCC(O)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
PRKAG1 P54619 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
MAPT P10636 2/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
PIM1 P11309 1/20 0.36
CLK2 P49760 1/20 0.36
MAP4K2 Q12851 1/20 0.36
CAMK2D Q13557 1/20 0.36
DYRK1A Q13627 1/20 0.36
PIM3 Q86V86 1/20 0.36
AURKB Q96GD4 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
STK17A Q9UEE5 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
SYK P43405 1/20 0.36
PHGDH O43175 1/20 0.35

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
SCHEMBL14745790 0.89 KCNH2 (0.41) KCNH2PRKAG1PRKAA1PRKAB1SYK
SCHEMBL16577246 0.89 KCNH2 (0.41) KCNH2PRKAG1PRKAA1PRKAB1SYK
SCHEMBL14745510 0.89 MAPT (0.37) KCNH2MAPTCHRM1PDE3BPDE3A
SCHEMBL14746079 0.84 PDE3B (0.40) MAPTPDE3BPDE3AALDH1A1L3MBTL1
SCHEMBL14745439 0.84 ACACB (0.40) KCNH2PRKD3MAP4K4PIM1CLK2
SCHEMBL14741045 0.83 MAPT (0.40) KCNH2PRKAG1PRKAA1PRKAB1MAPT
SCHEMBL14745457 0.82 KCNH2 (0.39) KCNH2PRKAG1PRKAA1PRKAB1PDE3B
SCHEMBL14745248 0.80 KCNH2 (0.36) KCNH2PRKAG1PRKAA1PRKAB1MAPT
SCHEMBL14745306 0.78 KCNH2 (0.41) KCNH2PRKD3MAP4K4PIM1CLK2
SCHEMBL14741014 0.78 KCNH2 (0.41) KCNH2PRKD3MAP4K4PIM1CLK2

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 3306/4885PRKAG1 3736/4885PRKAA1 2503/4885

“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.