SCHEMBL10165416

SCHEMBL10165416

COC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)c(Cl)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
IDO1 P14902 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL10165488 0.90 MEN1 (0.55) GAAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL15113351 0.81 PKM (0.68) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL20601872 0.78 POLB (0.54) GAAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL134430 0.78 MEN1 (0.58) MEN1KMT2AHSD17B10HPGDMAPT
SCHEMBL4897413 0.78 MEN1 (0.58) MEN1KMT2AHSD17B10HPGDMAPT
SCHEMBL21225837 0.75 KMT2A (0.54) ALDH1A1MEN1KMT2AHSD17B10HPGD
SCHEMBL15113369 0.73 PKM (0.68) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL10165449 0.72 MEN1 (0.65) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL1256959 0.71 NPC1 (0.56) HSD17B10MAPTNPC1
SCHEMBL21450364 0.71 RAB9A (0.66) ALDH1A1MEN1KMT2AHPGDMAPT

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 GAA 2936/4885ALDH1A1 3359/4885MEN1 3385/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B GAA 2936/4885ALDH1A1 3359/4885MEN1 3385/4885

“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.