SCHEMBL784084

SCHEMBL784084

[2H][C@@](C)(NS(=O)(=O)c1cccnc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP3A5 P20815 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPT P10636 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
ADAM17 P78536 1/20 0.41
SLC40A1 Q9NP59 4/20 0.40
GLO1 Q04760 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
KCNJ8 Q15842 1/20 0.40

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
SCHEMBL578908 0.85 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL578811 0.85 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL578868 0.85 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL8513974 0.83 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL8510753 0.80 CYP3A4 (0.48) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL18590905 0.80 CYP3A4 (0.48) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL578801 0.80 KMT2A (0.58) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL20094931 0.77 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL784028 0.77 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL579996 0.76 SMN1; SMN2 (0.49) KMT2AMAPTMEN1ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841302-B2 HCV inhibitor and therapeutic agent combinations PTC THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations PTC THERAPEUTICS, INC. (US) 2012-03-22 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 (1 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-20120070412-A1 HCV Inhibitor and Therapeutic Agent Combinations HAVCR2, SERPINB1, ENPEP SLC1A3 4340/4885SLC1A2 4578/4885SLC1A1 4287/4885

“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.