SCHEMBL10165488

SCHEMBL10165488

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 2/20 0.55
LMNA P02545 2/20 0.53
ALDH1A1 P00352 5/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
GAA P10253 1/20 0.51
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
GLA P06280 1/20 0.48
KDM4E B2RXH2 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SGMS1 Q86VZ5 1/20 0.48

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
SCHEMBL10165416 0.90 GAA (0.51) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL15116285 0.79 PKM (0.63) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL4897413 0.78 MEN1 (0.58) MEN1KMT2AMAPTHPGDHSD17B10
SCHEMBL20601872 0.78 POLB (0.54) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL134430 0.78 MEN1 (0.58) MEN1KMT2AMAPTHPGDHSD17B10
SCHEMBL3643221 0.76 TSHR (0.59) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL21225837 0.75 KMT2A (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11887691 0.75 LMNA (0.69) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL135654 0.73 SMN1; SMN2 (0.67) MEN1KMT2ALMNAALDH1A1SMN1; SMN2
SCHEMBL10165449 0.72 MEN1 (0.65) MEN1KMT2AMAPTLMNAALDH1A1

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.