SCHEMBL1708875

SCHEMBL1708875

COC(=O)c1cc(OC)cc(C(N)=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.55
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
PARP10 Q53GL7 2/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
USP2 O75604 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
NFKB1 P19838 1/20 0.47
XDH P47989 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL5225799 0.90 PARP1 (0.64) PARP1CA1CA2PARP10PARP2
SCHEMBL475746 0.90 CA1 (0.61) CA1CA2USP2KDM4EALDH1A1
SCHEMBL10889230 0.90 CA1 (0.58) PARP1CA1CA2PARP10PARP2
Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 0.86 CA1 (0.61) CA1CA2KDM4EALDH1A1CA12
SCHEMBL894796 0.86 PARP1 (0.64) PARP1CA1CA2PARP10PARP2
SCHEMBL18938219 0.82 ATM (0.52) PARP1CA1CA2USP2KDM4E
SCHEMBL11264625 0.82 CA1 (0.53) CA1CA2USP2KDM4EALDH1A1
SCHEMBL10600019 0.82 CA12 (0.50) CA1CA2USP2KDM4EALDH1A1
SCHEMBL56890 0.82 KDM4E (0.55) CA1CA2USP2KDM4EALDH1A1
SCHEMBL20963871 0.82 KDM4E (0.48) PARP1CA1CA2USP2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-7074809-B2 Compounds ASTRAZENECA AB (SE) 2006-07-11 US disclosed
EP-1581525-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2005-10-05 EP disclosed
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004014902-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2004-02-19 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 (3 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 PARP1 2910/4885CA1 4634/4885CA2 4369/4885
US-20040106607-A1 New compounds MTX1, MLX, TPX2 PARP1 374/4885CA1 3796/4885CA2 3267/4885
US-20120087896-A1 HYDROXYLATED 1,2,4-OXADIAZOLE BENZOIC ACID COMPOUNDS, COMPOSITIONS THEREOF AND THEIR USE IN BIOASSAYS UPF1, RIOX2, RNGTT PARP1 3261/4885CA1 3773/4885CA2 4304/4885

“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.