SCHEMBL14745800

SCHEMBL14745800

CCc1c(-c2ccc3c(c2)cc(CN2CCC(O)C2)n3C)[nH]c(=O)c(C(=O)O)c1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 8/20 0.35
PIM2 Q9P1W9 8/20 0.35
PIM3 Q86V86 4/20 0.35
NEK1 Q96PY6 1/20 0.33
CDC7 O00311 4/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
ENPP2 Q13822 1/20 0.32
CYP1A2 P05177 1/20 0.32
MCHR1 Q99705 1/20 0.32
FAAH O00519 1/20 0.32
EZH2 Q15910 2/20 0.31
DHODH Q02127 1/20 0.31
HRH3 Q9Y5N1 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
Hydrochloric Acid SCHEMBL17597875 0.99 PIM1 (0.34) PIM1PIM2PIM3NEK1CDC7
SCHEMBL14745650 0.95 ALDH1A1 (0.34) PIM1PIM2PIM3MCHR1EZH2
SCHEMBL14745093 0.95 ENPP2 (0.36) ENPP2MCHR1FAAH
Hydrochloric Acid SCHEMBL17597630 0.94 ALDH1A1 (0.34) PIM1MCHR1EZH2
Hydrochloric Acid SCHEMBL17597604 0.94 ENPP2 (0.35) ENPP2MCHR1FAAH
SCHEMBL14740934 0.93 FAAH (0.33) FAAH
Hydrochloric Acid SCHEMBL17598000 0.93 FAAH (0.33) FAAH
SCHEMBL14745342 0.92 DHODH (0.38) MCHR1FAAHEZH2DHODH
SCHEMBL14745341 0.92 DHODH (0.38) MCHR1FAAHEZH2DHODH
Hydrochloric Acid SCHEMBL17597881 0.91 DHODH (0.38) MCHR1FAAHEZH2DHODH

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US claimed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO claimed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US claimed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP claimed
CN-103889224-A ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS INC 2014-06-25 CN claimed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
WO-2016039937-A1 BICYCLIC AND TRICYCLIC SUBSTITUTED 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-03-17 WO disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US disclosed
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP disclosed
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO disclosed
WO-2013033258-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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP PIM1 2808/4885PIM2 2960/4885PIM3 2605/4885

“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.