SCHEMBL14745657

SCHEMBL14745657

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 8/20 0.41
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
KDM4C Q9H3R0 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL14744875 0.94 NPC1 (0.39) EDNRBRAB9ANPC1PKMTP53
SCHEMBL14744669 0.89 EDNRB (0.43) EDNRBALDH1A1KDM4ETSHRHPGD
SCHEMBL14745163 0.89 EDNRB (0.40) EDNRBRAB9ANPC1PKMTP53
SCHEMBL14744693 0.85 L3MBTL1 (0.38) EDNRBRAB9ANPC1PKMTP53
SCHEMBL16428927 0.83 EDNRB (0.42) EDNRBPPARGALDH1A1KDM4ETSHR
SCHEMBL14745062 0.83 NPC1 (0.36) EDNRBRAB9ANPC1PKMTP53
SCHEMBL14745624 0.82 GABRG2 (0.40) EDNRBRAB9ANPC1PKMTP53
SCHEMBL14744608 0.78 EDNRB (0.42) EDNRBRAB9AALDH1A1KDM4ETSHR
SCHEMBL14745593 0.76 GABRG2 (0.39) EDNRBRAB9ANPC1PKMTP53
SCHEMBL14744705 0.74 EDNRB (0.34) EDNRBRAB9ANPC1PKMTP53

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 3885/4885RAB9A 1346/4885NPC1 1233/4885

“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.