SCHEMBL387013

SCHEMBL387013

O=C(O)c1cccc(-c2noc(-c3cccc(C(F)(F)F)c3)n2)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
NPSR1 Q6W5P4 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
HDAC6 Q9UBN7 2/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
ALOX15 P16050 1/20 0.48
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
ALDH1A1 P00352 2/20 0.47
IP6K1 Q92551 1/20 0.47
IP6K3 Q96PC2 1/20 0.47
IP6K2 Q9UHH9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HNF4A P41235 1/20 0.46

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
SCHEMBL387678 0.88 CHUK (0.55) NPC1RAB9ANPSR1NR1H4HDAC6
SCHEMBL388407 0.84 TP53 (0.53) NPC1RAB9ANR1H4HDAC6ALDH1A1
SCHEMBL15632588 0.84 NPC1 (0.56) NPC1RAB9AHDAC6ALDH1A1GAA
SCHEMBL15632593 0.84 NPC1 (0.56) NPC1RAB9AHDAC6HDAC4HDAC1
SCHEMBL388112 0.84 HNF4A (0.61) NPC1RAB9ANPSR1NR1H4HDAC6
SCHEMBL15632591 0.83 NR1H4 (0.54) NPC1RAB9ANR1H4HDAC6SMN1; SMN2
SCHEMBL386932 0.83 NPC1 (0.55) NPC1RAB9ANPSR1NR1H4HDAC6
SCHEMBL388737 0.82 NPC1 (0.65) NPC1RAB9ANR1H4HDAC6SMN1; SMN2
SCHEMBL388293 0.82 NR1H4 (0.59) NPC1RAB9ANR1H4ALDH1A1KDM4E
SCHEMBL11553641 0.81 NPSR1 (0.56) NPC1RAB9ANPSR1NR1H4HDAC6

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 10 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
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 3624/4885NPSR1 4134/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT NPC1 1977/4885RAB9A 4182/4885NPSR1 3439/4885

“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.