SCHEMBL14744669

SCHEMBL14744669

CCc1c(O)c(C(=O)O)c(=O)n(Cc2ccc(OC)cc2OC)c1-c1ccc2c(c1)cc(CO)n2C

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 12/20 0.43
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.36
FEN1 P39748 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PLA2G2A P14555 1/20 0.36

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
SCHEMBL14744693 0.93 L3MBTL1 (0.38) EDNRBALDH1A1TSHRPLA2G2A
SCHEMBL16428927 0.90 EDNRB (0.42) EDNRBKDM4EALDH1A1TSHRFEN1
SCHEMBL14745657 0.89 EDNRB (0.41) EDNRBKDM4EALDH1A1TSHRHPGD
SCHEMBL14744608 0.88 EDNRB (0.42) EDNRBKDM4EALDH1A1TSHRFEN1
SCHEMBL14744875 0.85 NPC1 (0.39) EDNRBKDM4EALDH1A1TSHRHPGD
SCHEMBL14745624 0.81 GABRG2 (0.40) EDNRBALDH1A1
SCHEMBL14744705 0.81 EDNRB (0.34) EDNRBALDH1A1PLA2G2A
SCHEMBL14745242 0.80 EDNRB (0.44) EDNRBKDM4EALDH1A1HPGDPLA2G2A
SCHEMBL14744918 0.80 AADAT (0.38) EDNRBKDM4EALDH1A1TSHRFEN1
SCHEMBL14745779 0.79 EDNRB (0.40) EDNRBALDH1A1TSHRFEN1SMN1; SMN2

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-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
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 EDNRB 3885/4885KDM4E 4305/4885ALDH1A1 3792/4885

“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.