SCHEMBL972464

SCHEMBL972464

Cc1n[c]sc1S(=O)(=O)NC1CCN(C)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KMT2A Q03164 3/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HPGD P15428 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 2/20 0.33
MAPT P10636 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
BRD4 O60885 2/20 0.32
NMT1 P30419 1/20 0.32

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
SCHEMBL999823 0.75 STK3 (0.37) ALDH1A1SMN1; SMN2KMT2AHTR1AHTR7
SCHEMBL972109 0.72 POLB (0.44) SMN1; SMN2KMT2ATSHRMEN1MAPT
SCHEMBL2444382 0.70 GAA (0.32) SMN1; SMN2
SCHEMBL5245677 0.67 MCOLN2 (0.61) SMN1; SMN2HTR1AHTR7
SCHEMBL13200796 0.66 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2KMT2ACYP3A4TSHR
SCHEMBL799013 0.64 CA12 (0.39)
SCHEMBL18559454 0.64 CA12 (0.39) KMT2AMEN1SMYD3
SCHEMBL2444612 0.64 CA12 (0.34)
SCHEMBL12670098 0.64 SMO (0.47) ALDH1A1KMT2ACYP3A4TSHRBRD4
SCHEMBL14094445 0.63 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2KMT2AHTR1AHTR7

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
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8258134-B2 Pyridazinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2012-09-04 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS HAYNES NANCY-ELLEN 2011-01-27 US disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 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 (5 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885SMN1; SMN2 2275/4885KMT2A 3422/4885
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 ALDH1A1 1129/4885SMN1; SMN2 2392/4885KMT2A 2072/4885
US-20110021570-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD ALDH1A1 902/4885SMN1; SMN2 2275/4885KMT2A 3422/4885
US-20090264434-A1 PYRIDAZINONE GLUCOKINASE ACTIVATORS GCK, GCKR, PDXK ALDH1A1 1059/4885SMN1; SMN2 2837/4885KMT2A 3040/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 ALDH1A1 545/4885SMN1; SMN2 3602/4885KMT2A 3535/4885

“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.