SCHEMBL14745341

SCHEMBL14745341

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
WNT1 P04628 2/20 0.32
GSK3B P49841 2/20 0.32
DYRK1A Q13627 2/20 0.32
MCHR1 Q99705 1/20 0.32
FAAH O00519 1/20 0.32
TLR9 Q9NR96 4/20 0.32
TLR8 Q9NR97 4/20 0.32
TLR7 Q9NYK1 4/20 0.32
EZH2 Q15910 2/20 0.31
KMT2A Q03164 1/20 0.30
CNR1 P21554 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL14745342 1.00 DHODH (0.38) DHODHWNT1GSK3BDYRK1AMCHR1
Hydrochloric Acid SCHEMBL17597881 0.99 DHODH (0.38) DHODHWNT1GSK3BDYRK1AMCHR1
SCHEMBL14745229 0.94 FAAH (0.33) DHODHFAAH
Hydrochloric Acid SCHEMBL17597765 0.93 FAAH (0.33) DHODHFAAH
SCHEMBL16428952 0.93 PRKACA (0.38) DHODHMCHR1FAAHMAOA
SCHEMBL14757656 0.93 PRKACA (0.38) DHODHMCHR1FAAHMAOA
Hydrochloric Acid SCHEMBL17597383 0.92 PRKACA (0.37) DHODHMCHR1FAAH
SCHEMBL14745800 0.92 PIM1 (0.35) DHODHMCHR1FAAHEZH2
Hydrochloric Acid SCHEMBL17597875 0.91 PIM1 (0.34) DHODHMCHR1FAAHEZH2
SCHEMBL14744982 0.91 BAZ2A (0.37) MCHR1FAAHTLR9TLR8TLR7

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-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US 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
WO-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2013-03-07 WO claimed
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

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 DHODH 1799/4885WNT1 4068/4885GSK3B 3565/4885

“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.