SCHEMBL2401703

SCHEMBL2401703

CC(NC(=O)C1=NOC2(CCN(S(=O)(=O)c3cccs3)CC2)C1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 1/20 0.47
PKM P14618 4/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2404657 0.93 ALDH1A1 (0.45) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL6410174 0.85 ALDH1A1 (0.50) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2404765 0.83 ALDH1A1 (0.39) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2405235 0.83 KMT2A (0.55) ALDH1A1MEN1KMT2ARAB9APKM
SCHEMBL2401811 0.82 MAPT (0.50) ALDH1A1MEN1KMT2ARAB9APKM
SCHEMBL2400978 0.80 PKM (0.42) ALDH1A1MEN1KMT2ARAB9APKM
SCHEMBL6410840 0.79 ALDH1A1 (0.43) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2580532 0.79 LMNA (0.43) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2400837 0.78 LMNA (0.43) L3MBTL1ALDH1A1MEN1KMT2APKM
SCHEMBL2401372 0.75 PKM (0.41) L3MBTL1ALDH1A1MEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 US claimed
US-8048890-B2 Analgesics; neuropathic pain; headaches; muscle relaxants; incontence; tinnitus; diarrhea; antiarrhythmia agents; antiischemic agents; antiinflammatory agents; antiulcer agents; antidepressants; antiepileptic agents GRUENENTHAL GMBH (DE) 2011-11-01 US disclosed
US-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods GRUENENTHAL GMBH (DE) 2011-09-15 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 (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-20110224172-A1 Substituted 1-Oxa-2,8-Diaza-Spiro [4,5] Dec-2-Ene Derivatives and Related Treatment Methods SULT1E1, DECR1, CYP8B1 L3MBTL1 4865/4885ALDH1A1 156/4885MEN1 2995/4885

“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.