SCHEMBL14744693

SCHEMBL14744693

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
EDNRB P24530 4/20 0.37
PLA2G2A P14555 2/20 0.35
TP53 P04637 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14744669 0.93 EDNRB (0.43) EDNRBPLA2G2ATSHRALDH1A1
SCHEMBL14744875 0.90 NPC1 (0.39) L3MBTL1EDNRBPLA2G2ATP53NPC1
SCHEMBL14744705 0.88 EDNRB (0.34) L3MBTL1EDNRBPLA2G2ATP53NPC1
SCHEMBL14745624 0.85 GABRG2 (0.40) L3MBTL1EDNRBTP53NPC1PKM
SCHEMBL14745657 0.85 EDNRB (0.41) EDNRBPLA2G2ATP53NPC1PKM
SCHEMBL14744829 0.84 EDNRB (0.39) EDNRBPLA2G2ATP53RAB9AEGLN1
SCHEMBL16428927 0.83 EDNRB (0.42) EDNRBTSHRALDH1A1
SCHEMBL16568122 0.82 MEN1 (0.41) EDNRBEGLN1MAPTALDH1A1
SCHEMBL14744608 0.81 EDNRB (0.42) EDNRBRAB9ATSHRMAPTALDH1A1
SCHEMBL14745171 0.80 MAPT (0.37) TP53TSHRMAPTALDH1A1

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 L3MBTL1 321/4885EDNRB 3885/4885PLA2G2A 2737/4885

“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.