SCHEMBL579996

SCHEMBL579996

[2H][C@@](C)(NS(=O)(=O)c1ccc(Cl)nc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 7/20 0.46
PKM P14618 1/20 0.46
CYP2C19 P33261 1/20 0.44
GAA P10253 2/20 0.43
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CCR2 P41597 1/20 0.38
POLB P06746 1/20 0.38
EGFR P00533 1/20 0.37
CYP2D6 P10635 1/20 0.36

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
SCHEMBL10321569 1.00 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL9880035 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL578877 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL578878 0.86 SMN1; SMN2 (0.51) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL579380 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL7916957 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL784084 0.76 SLC1A3 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL2566837 0.74 ALDH1A1 (0.59) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL579067 0.74 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1PKM
SCHEMBL8513847 0.73 ALDH1A1 (0.55) SMN1; SMN2MEN1KMT2AALDH1A1PKM

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 5 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
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 SMN1; SMN2 4621/4885MEN1 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.