SCHEMBL579067

SCHEMBL579067

O=S(=O)(NC(CF)CF)c1ccc(Cl)nc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 2/20 0.50
PKM P14618 1/20 0.50
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
CYP2D6 P10635 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
EGFR P00533 1/20 0.40
CCR2 P41597 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
SCHEMBL586071 0.82 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL7916957 0.79 SMN1; SMN2 (0.58) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL579380 0.76 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL9880035 0.76 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL578878 0.76 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL578877 0.76 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL586613 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL8513847 0.75 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL17807630 0.74 ALDH1A1 (0.85) ALDH1A1MEN1KMT2AGAAPKM
SCHEMBL10321569 0.74 SMN1; SMN2 (0.49) ALDH1A1MEN1KMT2AGAAPKM

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 7 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-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-20120184574-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-07-19 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 ALDH1A1 2672/4885MEN1 4766/4885KMT2A 1654/4885

“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.