SCHEMBL579308

SCHEMBL579308

C[C@H](NS(=O)(=O)c1cncnc1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
IDO1 P14902 1/20 0.38
CCR8 P51685 12/20 0.35
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL578981 0.81 SLC1A3 (0.49) NAMPTIDO1ALDH1A1KMT2AMEN1
SCHEMBL578845 0.78 PIK3CD (0.43) NAMPTPIK3CDPIK3CGALDH1A1KMT2A
SCHEMBL17203731 0.75 CA2 (0.53) ALDH1A1
SCHEMBL8513847 0.74 ALDH1A1 (0.55) NAMPTPIK3CDPIK3CBPIK3CGIDO1
SCHEMBL586613 0.74 ALDH1A1 (0.55) NAMPTPIK3CDPIK3CBPIK3CGIDO1
SCHEMBL3721269 0.71 FEN1 (0.39) PIK3CDPIK3CGALDH1A1KMT2AMEN1
SCHEMBL8533219 0.71 FEN1 (0.39) PIK3CDPIK3CGALDH1A1KMT2AMEN1
SCHEMBL578990 0.70 SLC1A3 (0.31)
SCHEMBL20019662 0.68 SMN1; SMN2 (0.46) PIK3CDPIK3CGALDH1A1
SCHEMBL9833963 0.67 ALDH1A1 (0.49) NAMPTCCR8ALDH1A1POLB

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-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
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 (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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT IDO1, IRF3, MAVS NAMPT 865/4885PIK3CD 2508/4885PIK3CB 1933/4885

“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.