SCHEMBL578908

SCHEMBL578908

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP3A5 P20815 1/20 0.47
S1PR1 P21453 1/20 0.47
NAPRT Q6XQN6 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
ITGAV P06756 1/20 0.42
MAPT P10636 1/20 0.42
ADAM17 P78536 1/20 0.42
SLC40A1 Q9NP59 3/20 0.42
GLO1 Q04760 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41

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
SCHEMBL578868 1.00 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL578811 1.00 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL784084 0.85 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL18590905 0.82 CYP3A4 (0.48) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL8510753 0.82 CYP3A4 (0.48) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL578801 0.82 KMT2A (0.58) SLC1A3SLC1A2SLC1A1KMT2ACYP3A4
SCHEMBL3721269 0.81 FEN1 (0.39) KMT2ACYP3A4CYP3A5S1PR1MEN1
SCHEMBL8533219 0.81 FEN1 (0.39) KMT2ACYP3A4CYP3A5S1PR1MEN1
SCHEMBL17760488 0.80 SMN1; SMN2 (0.53) SLC1A3SLC1A2SLC1A1KMT2AL3MBTL1
SCHEMBL8510543 0.80 SMN1; SMN2 (0.53) SLC1A3SLC1A2SLC1A1KMT2AL3MBTL1

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.