SCHEMBL4882574

SCHEMBL4882574

C[C@H](C(=O)Nc1ccc(S(=O)(=O)NC(=O)CC(C)(C)C)cc1)n1ccc2c(F)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
ECE1 P42892 5/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
NR3C2 P08235 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL10165505 0.87 POLB (0.46) CA1CA2MEN1KMT2ATDP1
SCHEMBL4879306 0.87 MEN1 (0.42) MEN1KMT2ATDP1SCN3AALDH1A1
SCHEMBL10165470 0.86 L3MBTL1 (0.39) CA1CA2CA7CA14MEN1
SCHEMBL10165487 0.86 MMP2 (0.40) CA1CA2CA7CA14MEN1
SCHEMBL4883664 0.85 MMP9 (0.44) MEN1KMT2AUSP30ALDH1A1POLB
SCHEMBL4944238 0.85 KMT2A (0.43) MEN1KMT2ATDP1ALDH1A1POLB
SCHEMBL4944245 0.85 KMT2A (0.43) MEN1KMT2ATDP1ALDH1A1POLB
SCHEMBL10165431 0.85 KMT2A (0.43) MEN1KMT2ATDP1ALDH1A1POLB
SCHEMBL4879389 0.85 L3MBTL1 (0.41) CA1CA2CA7CA14MEN1
SCHEMBL10165458 0.84 SMN1; SMN2 (0.46) CA1CA2MEN1KMT2ATDP1

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 12 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-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-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-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
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 CA1 916/4885CA2 192/4885CA7 2363/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B CA1 916/4885CA2 192/4885CA7 2363/4885

“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.