SCHEMBL1940137

SCHEMBL1940137

Nc1cnn(S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PKM P14618 3/20 0.42
PARL Q9H300 1/20 0.42
HPGD P15428 1/20 0.42
CXCL8 P10145 1/20 0.41
NOD1 Q9Y239 1/20 0.41
HTT P42858 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
HTR6 P50406 1/20 0.39
GRM4 Q14833 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 2/20 0.38

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
SCHEMBL1278809 0.83 MEN1 (0.54) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL7491164 0.79 PARL (0.42) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL22578469 0.79 ALDH1A1 (0.42) ALDH1A1LMNAPKMPARLPIK3CD
SCHEMBL29236508 0.79 PARL (0.42) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL12266126 0.76 PARL (0.43) ALDH1A1MAPTPKMPARLPIK3CD
SCHEMBL15614518 0.76 TSHR (0.41) ALDH1A1LMNASMN1; SMN2MAPTKMT2A
SCHEMBL13469349 0.75 GRM4 (0.50) ALDH1A1LMNASMN1; SMN2MAPTPKM
SCHEMBL1939811 0.73 KMT2A (0.53) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL1663043 0.71 F2 (0.35) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL27430260 0.69 ALDH1A1 (0.50) ALDH1A1LMNASMN1; SMN2MAPTMEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2330909-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-09-18 EP disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
EP-2330909-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-06-15 EP disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 WO 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 (1 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-20110136838-A1 CHEMICAL COMPOUNDS PDK1, PDK4, PDK3 ALDH1A1 572/4885LMNA 4436/4885SMN1; SMN2 4068/4885

“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.