SCHEMBL4901667

SCHEMBL4901667

CC(C)(C)OC(=O)c1cccc(C(=N)N)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
F2 P00734 10/20 0.50
TMPRSS6 Q8IU80 4/20 0.50
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
C1S P09871 1/20 0.44
PLG P00747 1/20 0.44
F10 P00742 1/20 0.44
STAT3 P40763 1/20 0.44
NOS1 P29475 1/20 0.44

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
SCHEMBL110296 0.88 SLC7A5 (0.58) SLC7A5STAT3
SCHEMBL21015802 0.86 SLC7A5 (0.55) SLC7A5STAT3
SCHEMBL28350987 0.86 SLC7A5 (0.56) SLC7A5STAT3
Water SCHEMBL28897664 0.86 SLC7A5 (0.56) SLC7A5STAT3
Hydrogen Peroxide SCHEMBL27146001 0.86 SLC7A5 (0.60) SLC7A5F2STAT3
SCHEMBL27107638 0.83 SLC7A5 (0.52) SLC7A5F2TMPRSS6STAT3
SCHEMBL27408427 0.83 SLC7A5 (0.55) SLC7A5F2TMPRSS6STAT3
SCHEMBL4900034 0.82 CA12 (0.54) F2TMPRSS6PRSS1PRSS2PRSS3
SCHEMBL40750 0.81 SLC7A5 (0.56) SLC7A5STAT3
SCHEMBL30163785 0.81 SLC7A5 (0.56) SLC7A5STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. (US) 2016-08-11 US disclosed
US-9315467-B2 Compounds for nonsense suppression, and methods for their use PTC THERAPEUTICS, INC. (US) 2016-04-19 US disclosed
US-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use PTC THERAPEUTICS, INC. 2008-05-22 US disclosed
EP-1799212-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC Therapeutics, Inc. (US) 2007-06-27 EP disclosed
WO-2006044505-A2 COMPOUNDS FOR NONSENSE SUPPRESSION, AND METHODS FOR THEIR USE PTC THERAPEUTICS, INC. (US) 2006-04-27 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 (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-20080119473-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 SLC7A5 2878/4885F2 4719/4885TMPRSS6 2969/4885
US-20160229818-A1 Compounds for Nonsense Suppression, and Methods for Their Use NSUN2, UPF1, NSUN3 SLC7A5 2878/4885F2 4719/4885TMPRSS6 2969/4885

“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.