SCHEMBL385137

SCHEMBL385137

COc1ccccc1-c1nc(-c2cccc(C(=O)O)c2O)no1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.63
TSHR P16473 6/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
TP53 P04637 10/20 0.60
HTT P42858 1/20 0.60
NPC1 O15118 11/20 0.58
RAB9A P51151 11/20 0.58
SMN1; SMN2 Q16637 10/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 2/20 0.54
HSD17B10 Q99714 4/20 0.54
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
MAPT P10636 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
PKM P14618 1/20 0.53

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
SCHEMBL387808 0.81 NR1H4 (0.60) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL388112 0.81 HNF4A (0.61) ALDH1A1TSHRTP53NPC1RAB9A
SCHEMBL387650 0.81 NPC1 (0.80) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL387971 0.81 TSHR (0.59) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL388703 0.81 NPC1 (0.55) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL23288082 0.80 CASP3 (0.71) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL388074 0.80 NPC1 (0.63) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL12171135 0.80 SMN1; SMN2 (0.70) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL61029 0.79 NPC1 (0.70) ALDH1A1TSHRMEN1KMT2ATP53
SCHEMBL493675 0.77 ALDH1A1 (0.64) ALDH1A1TSHRMEN1KMT2ATP53

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691511-B2 Hydroxylated 1,2,4-oxadiazole benzoic acid compounds, compositions thereof and their use in bioassays PTC THERAPEUTICS, INC. (US) 2014-04-08 US disclosed
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 US disclosed
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS PTC THERAPEUTICS, INC. 2012-04-12 US disclosed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US disclosed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US disclosed
US-8101641-B2 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. (US) 2012-01-24 US disclosed
WO-2008130370-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS, INC. (US) 2008-10-30 WO disclosed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 US disclosed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 US disclosed
US-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells PTC THERAPEUTICS, INC. 2008-06-12 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 (2 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-20080139632-A1 Such as 3-[5-(2-fluorophenyl)-[1,2,4]oxadiazol-3-yl]-2-hydroxybenzoic acid for modulating premature translation termination or nonsense-mediated mRNA decay in cells UPF1, RIOX2, RNMT ALDH1A1 1460/4885TSHR 3646/4885MEN1 4772/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT ALDH1A1 959/4885TSHR 3615/4885MEN1 4752/4885

“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.