SCHEMBL2402390

SCHEMBL2402390

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)Nc2ccc(Oc4ccccc4)cc2)=NO3)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPK1 P28482 1/20 0.47
CYP3A4 P08684 4/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.45
USP2 O75604 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL6409938 0.86 MAPT (0.56) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL6416697 0.80 CYP2C19 (0.52) SMN1; SMN2GAAMEN1KMT2AMAPK1
SCHEMBL2400743 0.79 ALDH1A1 (0.49) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL2402252 0.78 LIPE (0.47) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL2580546 0.77 TGM2 (0.47) SMN1; SMN2MEN1KMT2AMAPK1CYP2C9
SCHEMBL2580532 0.76 LMNA (0.43) GAAMEN1KMT2AMAPK1CYP2C19
SCHEMBL6410958 0.75 PKM (0.52) MEN1KMT2ACYP3A4CYP1A2USP2
SCHEMBL2579196 0.75 ALDH1A1 (0.45) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL2400879 0.75 POLB (0.48) GAAMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL2402632 0.74 ALDH1A1 (0.62) SMN1; SMN2MEN1KMT2AMAPK1CYP3A4

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 MAPT 3594/4885SMN1; SMN2 1407/4885GAA 1186/4885

“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.