SCHEMBL16440964

SCHEMBL16440964

C=C(O)c1c(O)c(CC)c(-c2ccc3[nH]c(-c4ccc(C(F)(F)F)cc4)cc3c2)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.40
HPN P05981 1/20 0.39
HDAC11 Q96DB2 2/20 0.33
PARP1 P09874 1/20 0.33
TNKS O95271 1/20 0.33
PPARG P37231 1/20 0.32
RAB9A P51151 1/20 0.32
FFAR1 O14842 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
S1PR1 P21453 1/20 0.32
PDE2A O00408 1/20 0.32
HDAC6 Q9UBN7 1/20 0.31
SLC6A2 P23975 1/20 0.31
P2RY14 Q15391 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
SCHEMBL14744842 0.91 PTGDR2 (0.43) PTGDR2HPNHDAC11PARP1TNKS
SCHEMBL14745185 0.80 PPARG (0.46) PPARGRAB9AFFAR1
SCHEMBL14745520 0.76 CYP19A1 (0.44) PPARGFFAR1
SCHEMBL14745667 0.72 MGLL (0.37) PPARGPDE2ASLC6A2P2RY14
Trifluoroacetic Acid SCHEMBL17598072 0.71 KDR (0.36) TLR9TLR8TLR7
SCHEMBL16440961 0.70 KDM4E (0.46) PPARGRAB9ATLR8TLR7
SCHEMBL14745557 0.70 KDM4E (0.44) PPARGFFAR1
SCHEMBL17597683 0.69 KDR (0.38) TLR9TLR8TLR7
SCHEMBL164967 0.69 HPN (0.54) PTGDR2HPNHDAC11PPARGHDAC6
Trifluoroacetic Acid SCHEMBL17597457 0.69 CHEK1 (0.36) TLR9TLR8TLR7

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 2 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 disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 US 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 PTGDR2 4594/4885HPN 309/4885HDAC11 2743/4885

“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.