SCHEMBL14744875

SCHEMBL14744875

CCc1c(NCc2ccc(OC)cc2OC)c(C(=O)OC)c(=O)n(Cc2ccc(OC)cc2OC)c1-c1ccc2c(c1)cc(CO)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 5/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
EDNRB P24530 3/20 0.36
ERBB2 P04626 1/20 0.35
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
IRAK1 P51617 1/20 0.35
RPS6KA3 P51812 1/20 0.35
ROCK1 Q13464 1/20 0.35
CDC42BPA Q5VT25 1/20 0.35
AURKB Q96GD4 1/20 0.35
CSNK1G3 Q9Y6M4 1/20 0.35
ALDH1A1 P00352 3/20 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
SCHEMBL14745657 0.94 EDNRB (0.41) NPC1PKMRAB9AMAPTTP53
SCHEMBL14744693 0.90 L3MBTL1 (0.38) NPC1PKMRAB9AMAPTTP53
SCHEMBL14745062 0.88 NPC1 (0.36) NPC1PKMRAB9AMAPTTP53
SCHEMBL14745624 0.85 GABRG2 (0.40) NPC1PKMRAB9AMAPTTP53
SCHEMBL14744669 0.85 EDNRB (0.43) EDNRBALDH1A1TSHRKDM4EHPGD
SCHEMBL14745163 0.83 EDNRB (0.40) NPC1PKMRAB9AMAPTTP53
SCHEMBL14745593 0.79 GABRG2 (0.39) NPC1PKMRAB9AMAPTTP53
SCHEMBL14744705 0.79 EDNRB (0.34) NPC1PKMRAB9AMAPTTP53
SCHEMBL16428927 0.78 EDNRB (0.42) EDNRBALDH1A1TSHRKDM4EHPGD
SCHEMBL14745444 0.75 LMNA (0.40) MAPTL3MBTL1ALDH1A1TSHRLMNA

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 NPC1 1233/4885PKM 4051/4885RAB9A 1346/4885

“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.