SCHEMBL579155

SCHEMBL579155

O=S(=O)(NC(CF)CF)c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.52
SLC1A2 P43004 1/20 0.52
SLC1A1 P43005 1/20 0.52
NAPRT Q6XQN6 1/20 0.47
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.44
CYP3A5 P20815 1/20 0.44
S1PR1 P21453 1/20 0.44
MAPT P10636 1/20 0.44
ITGAV P06756 1/20 0.44
SLC40A1 Q9NP59 3/20 0.43
GLO1 Q04760 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NLRP3 Q96P20 1/20 0.40
PTGS2 P35354 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
SCHEMBL784028 0.81 SLC1A3 (0.56) SLC1A3SLC1A2SLC1A1NAPRTKMT2A
SCHEMBL578990 0.80 SLC1A3 (0.31) SLC1A3SLC1A2SLC1A1
SCHEMBL8510601 0.79 SMN1; SMN2 (0.51) SLC1A3SLC1A2SLC1A1KMT2AKEAP1
SCHEMBL578801 0.78 KMT2A (0.58) SLC1A3SLC1A2SLC1A1NAPRTKMT2A
SCHEMBL28580223 0.76 NAPRT (0.53) SLC1A3SLC1A2SLC1A1NAPRTKMT2A
SCHEMBL8510753 0.76 CYP3A4 (0.48) SLC1A3SLC1A2SLC1A1NAPRTKMT2A
SCHEMBL18590905 0.76 CYP3A4 (0.48) SLC1A3SLC1A2SLC1A1NAPRTKMT2A
SCHEMBL21960091 0.75 NAPRT (0.57) SLC1A3SLC1A2SLC1A1NAPRTKMT2A
SCHEMBL8513974 0.75 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1NAPRTKMT2A
SCHEMBL20094931 0.75 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1NAPRTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-8735414-B2 Indole derivatives and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2014-05-27 US disclosed
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 US disclosed
EP-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 SLC1A3 4584/4885SLC1A2 4751/4885SLC1A1 4522/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS SLC1A3 2881/4885SLC1A2 2520/4885SLC1A1 2566/4885

“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.