SCHEMBL10165442

SCHEMBL10165442

COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3cc(F)ccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.48
RXFP1 Q9HBX9 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 1/20 0.46
TP53 P04637 2/20 0.45
NPY5R Q15761 1/20 0.45
CHRNB2 P17787 2/20 0.44
CHRNB4 P30926 2/20 0.44
CHRNA3 P32297 2/20 0.44
CHRNA4 P43681 2/20 0.44
MAPT P10636 3/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
POLB P06746 1/20 0.43
TRPA1 O75762 1/20 0.42

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
SCHEMBL10165422 0.89 NPY5R (0.44) RORCRXFP1LMNAALDH1A1MAPK1
SCHEMBL10165427 0.89 KCNA5 (0.46) RXFP1LMNAALDH1A1MAPK1MAPT
SCHEMBL10165440 0.88 RORC (0.48) RORCRXFP1ALDH1A1TP53NPY5R
SCHEMBL10165420 0.84 MTNR1A (0.48) LMNATP53KMT2APOLB
SCHEMBL10165494 0.82 TRAF6 (0.46) RORCRXFP1ALDH1A1MAPK1TP53
SCHEMBL10165451 0.81 TRPA1 (0.45) RORCLMNAALDH1A1MAPK1TP53
SCHEMBL10165492 0.81 ALDH1A1 (0.42) LMNAALDH1A1MAPK1CHRNB2CHRNB4
SCHEMBL10165467 0.79 RORC (0.50) RORCLMNATP53MAPTKMT2A
SCHEMBL9974115 0.79 MEN1 (0.58) LMNAALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL10165443 0.77 NPY5R (0.44) LMNAALDH1A1MAPK1NPY5RSMN1; SMN2

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 4749/4885RXFP1 3688/4885LMNA 2653/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B RORC 4749/4885RXFP1 3688/4885LMNA 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.