SCHEMBL10165467

SCHEMBL10165467

COC(=O)NS(=O)(=O)c1ccc(NC(=O)CCn2ccc3cc(Cl)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.50
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ALOX12 P18054 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
FBP1 P09467 1/20 0.42
SCN3A Q9NY46 1/20 0.41
KCNA5 P22460 1/20 0.41
KCNH2 Q12809 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL10165440 0.91 RORC (0.48) RORCKCNA5KCNH2TP53MAPT
SCHEMBL10165417 0.88 MMP2 (0.53) RORCHDAC3HDAC1HDAC2HDAC8
SCHEMBL10165494 0.83 TRAF6 (0.46) RORCSCN3AKCNA5KCNH2TP53
SCHEMBL11912028 0.83 RORC (0.49) RORCHDAC3HDAC1HDAC2HDAC8
SCHEMBL10165411 0.81 ALOX12 (0.41) ALOX12MEN1KMT2ALMNASCN3A
SCHEMBL1102270 0.80 AVPR2 (0.59) ALOX12MEN1KMT2ALMNASCN3A
SCHEMBL10165427 0.80 KCNA5 (0.46) KMT2ALMNAKCNA5MAPT
SCHEMBL10165442 0.79 RORC (0.48) RORCKMT2AGAALMNATP53
SCHEMBL10165446 0.78 TRAF6 (0.47) LMNAKCNA5KCNH2TP53MAPT
SCHEMBL1102109 0.78 SCN9A (0.45) RORCFBP1SCN3A

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 RORC 4749/4885HDAC3 657/4885HDAC1 1412/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B RORC 4749/4885HDAC3 657/4885HDAC1 1412/4885

“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.