SCHEMBL2404874

SCHEMBL2404874

COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)NC(C)Cc2ccc(Cl)cc2)=NO3)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 2/20 0.46
FPR2 P25090 1/20 0.44
PKM P14618 2/20 0.44
ALOX12 P18054 1/20 0.43
MMP1 P03956 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
ADAM17 P78536 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2404900 0.91 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL6414863 0.87 ALDH1A1 (0.47) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL2404676 0.84 ALDH1A1 (0.45) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL2400030 0.78 NPSR1 (0.44) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL6410958 0.78 PKM (0.52) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL2400743 0.75 ALDH1A1 (0.49) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL2405020 0.75 MEN1 (0.48) ALDH1A1KMT2AMEN1SMN1; SMN2MAPK1
SCHEMBL6410300 0.74 SMN1; SMN2 (0.62) ALDH1A1KMT2ALMNAPOLBMEN1
SCHEMBL2400732 0.73 MEN1 (0.45) ALDH1A1KMT2APOLBMEN1HTT
SCHEMBL2580532 0.73 LMNA (0.43) ALDH1A1KMT2ALMNAPOLBMEN1

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 ALDH1A1 156/4885KMT2A 3636/4885LMNA 1973/4885

“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.