SCHEMBL10165449

SCHEMBL10165449

COC(=O)NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.65
KMT2A Q03164 7/20 0.65
MAPT P10636 7/20 0.65
HPGD P15428 6/20 0.65
LMNA P02545 2/20 0.62
ALDH1A1 P00352 1/20 0.62
POLB P06746 5/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 1/20 0.55
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
GAA P10253 1/20 0.54
NLRP1 Q9C000 1/20 0.54
CYP2C9 P11712 1/20 0.52
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
RAB9A P51151 1/20 0.51

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
SCHEMBL1091470 0.85 HPGD (0.73) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL3484950 0.84 HPGD (0.68) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL8388592 0.81 MEN1 (0.67) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL15113297 0.80 MEN1 (0.67) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL4897413 0.79 MEN1 (0.58) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL134430 0.79 MEN1 (0.58) MEN1KMT2AMAPTHPGDPOLB
SCHEMBL12534318 0.79 HPGD (0.74) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL3279205 0.79 HPGD (0.74) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL1090961 0.79 MEN1 (0.64) MEN1KMT2AMAPTHPGDLMNA
SCHEMBL1090261 0.79 HPGD (0.77) MEN1KMT2AMAPTHPGDLMNA

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 MEN1 3385/4885KMT2A 2348/4885MAPT 2165/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B MEN1 3385/4885KMT2A 2348/4885MAPT 2165/4885

“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.