SCHEMBL10165411

SCHEMBL10165411

COC(=O)NS(=O)(=O)c1ccc(NC(=O)CCn2ccc3cccc(Cl)c32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KMT2A Q03164 6/20 0.40
MEN1 O00255 5/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SCN3A Q9NY46 2/20 0.39
MMP2 P08253 1/20 0.39
MMP14 P50281 1/20 0.39
POLB P06746 2/20 0.39
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL10165443 0.90 NPY5R (0.44) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL10165467 0.81 RORC (0.50) ALOX12KMT2AMEN1LMNASCN3A
SCHEMBL9972277 0.80 LMNA (0.59) ALOX12L3MBTL1KMT2AMEN1LMNA
SCHEMBL10165492 0.78 ALDH1A1 (0.42) L3MBTL1KMT2AMEN1LMNAHTT
SCHEMBL1102120 0.78 SCN9A (0.47) KMT2AMEN1LMNAHTTSMN1; SMN2
SCHEMBL12718931 0.74 NPY5R (0.43) L3MBTL1KMT2ALMNASMN1; SMN2POLB
SCHEMBL10165440 0.73 RORC (0.48) SMN1; SMN2ALDH1A1MAPT
SCHEMBL10165494 0.73 TRAF6 (0.46) SMN1; SMN2SCN3APOLBALDH1A1MAPT
SCHEMBL10165427 0.72 KCNA5 (0.46) KMT2ALMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL9974116 0.70 ALDH1A1 (0.61) ALOX12L3MBTL1KMT2AMEN1LMNA

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 ALOX12 3141/4885L3MBTL1 3318/4885KMT2A 2348/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B ALOX12 3141/4885L3MBTL1 3318/4885KMT2A 2348/4885

“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.