SCHEMBL10165448

SCHEMBL10165448

COC(=O)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)n2ccc3cccc(F)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
TP53 P04637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL10165491 1.00 KMT2A (0.41) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL4944238 0.85 KMT2A (0.43) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL10165431 0.85 KMT2A (0.43) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL4944245 0.85 KMT2A (0.43) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL10165454 0.85 KMT2A (0.43) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL1102264 0.81 TDP1 (0.56) KMT2AMEN1ALDH1A1TDP1KDM4E
SCHEMBL10165492 0.80 ALDH1A1 (0.42) KMT2AMEN1LMNAHTTALDH1A1
SCHEMBL10165503 0.77 F11 (0.41) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL10165430 0.77 F11 (0.41) KMT2AMEN1LMNAALDH1A1KDM4E
SCHEMBL10165434 0.77 TP53 (0.45) KMT2ATP53

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B KMT2A 2348/4885MEN1 3385/4885LMNA 2653/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B KMT2A 2348/4885MEN1 3385/4885LMNA 2653/4885

“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.