SCHEMBL388074

SCHEMBL388074

COc1cccc(-c2nc(-c3cccc(C(=O)O)c3O)no2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.63
RAB9A P51151 8/20 0.63
SMN1; SMN2 Q16637 7/20 0.63
TP53 P04637 4/20 0.63
NFKB1 P19838 2/20 0.63
NFKB2 Q00653 2/20 0.63
RELA Q04206 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
MAPT P10636 7/20 0.57
ALDH1A1 P00352 5/20 0.57
TSHR P16473 4/20 0.57
HSD17B10 Q99714 3/20 0.57
PIK3CD O00329 1/20 0.54
PIK3CB P42338 1/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 2/20 0.54
NR1H4 Q96RI1 1/20 0.53
PKM P14618 1/20 0.53
GRM5 P41594 1/20 0.53
MAPK1 P28482 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 0.88 NR1H4 (0.60) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL388293 0.84 NR1H4 (0.59) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL388112 0.84 HNF4A (0.61) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL15632591 0.83 NR1H4 (0.54) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL5085746 0.82 HNF4A (0.63) RAB9ASMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL388407 0.82 TP53 (0.53) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL388737 0.82 NPC1 (0.65) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL59673 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL12171366 0.81 NPC1 (0.78) NPC1RAB9ASMN1; SMN2TP53NFKB1
SCHEMBL1427471 0.81 NPC1 (0.73) NPC1RAB9ASMN1; SMN2TP53NFKB1

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 12 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
EP-2068871-B1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THE USE FOR NONSENSE SUPPRESSION PTC THERAPEUTICS INC (US) 2013-12-25 EP 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 NPC1 2066/4885RAB9A 3624/4885SMN1; SMN2 243/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT NPC1 1977/4885RAB9A 4182/4885SMN1; SMN2 255/4885

“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.