SCHEMBL2402452

SCHEMBL2402452

Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC(C(=O)NCCc2ccc(Cl)c(Cl)c2)=NO3)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TP53 P04637 2/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2399340 0.87 TRPV1 (0.54) ALDH1A1GAASMN1; SMN2POLBMEN1
SCHEMBL6409939 0.86 ALDH1A1 (0.44) ALDH1A1TP53GAASMN1; SMN2POLB
SCHEMBL2400983 0.83 SMN1; SMN2 (0.44) ALDH1A1TP53SMN1; SMN2POLBLMNA
SCHEMBL2400879 0.82 POLB (0.48) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL2402458 0.78 PKM (0.53) ALDH1A1GAASMN1; SMN2POLBMEN1
SCHEMBL2401367 0.77 TSHR (0.46) ALDH1A1TP53GAASMN1; SMN2MEN1
SCHEMBL6416697 0.76 CYP2C19 (0.52) ALDH1A1GAASMN1; SMN2POLBMEN1
SCHEMBL2401314 0.76 NPSR1 (0.43) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL2401326 0.76 ALDH1A1 (0.41) ALDH1A1GAASMN1; SMN2POLBMEN1
SCHEMBL2400743 0.76 ALDH1A1 (0.49) ALDH1A1GAASMN1; SMN2POLBMEN1

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 156/4885TP53 3433/4885GAA 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.