SCHEMBL4883497

SCHEMBL4883497

COC(=O)NS(=O)(=O)c1ccc(NC(=O)C(CC(C)C)n2ccc3c(F)cccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
LARS1 Q9P2J5 2/20 0.40
NR3C2 P08235 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 4/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.35
GFER P55789 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35
GCK P35557 1/20 0.35
MCL1 Q07820 1/20 0.35
HPGD P15428 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
SCHEMBL10165500 1.00 KMT2A (0.40) KMT2AMEN1LARS1NR3C2TDP1
SCHEMBL4883496 1.00 KMT2A (0.40) KMT2AMEN1LARS1NR3C2TDP1
SCHEMBL4944245 0.88 KMT2A (0.43) KMT2AMEN1NR3C2TDP1ALDH1A1
SCHEMBL4944238 0.88 KMT2A (0.43) KMT2AMEN1NR3C2TDP1ALDH1A1
SCHEMBL10165431 0.88 KMT2A (0.43) KMT2AMEN1NR3C2TDP1ALDH1A1
SCHEMBL3667552 0.86 NR3C2 (0.38) KMT2AMEN1LARS1NR3C2ALDH1A1
SCHEMBL10165458 0.81 SMN1; SMN2 (0.46) KMT2AMEN1NR3C2TDP1ALDH1A1
SCHEMBL4879306 0.78 MEN1 (0.42) KMT2AMEN1NR3C2TDP1ALDH1A1
SCHEMBL10165505 0.78 POLB (0.46) KMT2AMEN1TDP1ALDH1A1HTT
SCHEMBL10165444 0.78 MEN1 (0.43) KMT2AMEN1NR3C2TDP1GAA

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-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-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

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 3385/4885LARS1 4363/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B KMT2A 2348/4885MEN1 3385/4885LARS1 4363/4885

“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.