SCHEMBL2401367

SCHEMBL2401367

O=C(NCCc1cccc(C(F)(F)F)c1)C1=NOC2(CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
USP5 P45974 1/20 0.41
TP53 P04637 1/20 0.41
TGM2 P21980 1/20 0.40
GAA P10253 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
SCHEMBL6415335 0.87 TSHR (0.44) TSHRKMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL2402458 0.87 PKM (0.53) KMT2AALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2400977 0.83 ALDH1A1 (0.48) TSHRKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL2401326 0.83 ALDH1A1 (0.41) KMT2AALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL2400386 0.79 KMT2A (0.47) KMT2AALDH1A1MAPTHTTMEN1
SCHEMBL2402766 0.79 HTT (0.42) KMT2AALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL2399309 0.79 KMT2A (0.47) KMT2AMAPTHTTMEN1USP5
SCHEMBL2399340 0.78 TRPV1 (0.54) KMT2AALDH1A1SMN1; SMN2MEN1GAA
SCHEMBL2401310 0.78 MAPK1 (0.46) KMT2AALDH1A1SMN1; SMN2
SCHEMBL2402452 0.77 ALDH1A1 (0.51) TSHRKMT2AALDH1A1SMN1; SMN2HTT

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 TSHR 1894/4885KMT2A 3636/4885ALDH1A1 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.