SCHEMBL8510753

SCHEMBL8510753

CCC(NS(=O)(=O)c1cccnc1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
CYP3A5 P20815 1/20 0.48
S1PR1 P21453 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
KMT2A Q03164 2/20 0.47
MAPT P10636 1/20 0.43
NAPRT Q6XQN6 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
TSHR P16473 1/20 0.41
ITGAV P06756 1/20 0.41
ADAM17 P78536 1/20 0.41
SLC40A1 Q9NP59 3/20 0.40
GLO1 Q04760 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ABCC9 O60706 1/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 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
SCHEMBL18590905 1.00 CYP3A4 (0.48) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL578811 0.82 SLC1A3 (0.50) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL578868 0.82 SLC1A3 (0.50) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL578908 0.82 SLC1A3 (0.50) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL29509588 0.82 SMN1; SMN2 (0.54) CYP3A4S1PR1SLC1A3SLC1A2SLC1A1
SCHEMBL784084 0.80 SLC1A3 (0.48) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL578801 0.77 KMT2A (0.58) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL784028 0.77 SLC1A3 (0.56) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL579155 0.76 SLC1A3 (0.52) CYP3A4CYP3A5S1PR1SLC1A3SLC1A2
SCHEMBL29509584 0.75 GBA1 (0.46) KMT2AABCC9ABCC8KCNJ11KCNJ8

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 4 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

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 CYP3A4 2259/4885CYP3A5 1684/4885S1PR1 1584/4885
US-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS CYP3A4 1375/4885CYP3A5 596/4885S1PR1 1253/4885

“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.