SCHEMBL2400879

SCHEMBL2400879

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)NCCN(C)C)=NO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
USP5 P45974 1/20 0.39
AKR1C3 P42330 1/20 0.39
HTT P42858 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
SCHEMBL2580957 0.91 ALDH1A1 (0.47) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL6411481 0.84 POLB (0.44) POLBGAAALDH1A1NPSR1KMT2A
SCHEMBL2402452 0.82 ALDH1A1 (0.51) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL2404658 0.82 POLB (0.41) POLBGAAALDH1A1NPSR1KMT2A
SCHEMBL2404605 0.81 L3MBTL1 (0.47) POLBGAAALDH1A1LMNAHTT
SCHEMBL2400983 0.81 SMN1; SMN2 (0.44) POLBALDH1A1NPSR1LMNAPKM
SCHEMBL6416697 0.81 CYP2C19 (0.52) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL2580532 0.79 LMNA (0.43) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL2400743 0.78 ALDH1A1 (0.49) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL6409957 0.76 KMT2A (0.45) POLBGAAALDH1A1KMT2AMEN1

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 POLB 1636/4885GAA 1186/4885ALDH1A1 156/4885

“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.