SCHEMBL15062394

SCHEMBL15062394

O=C(O)C1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
FKBP1A P62942 3/20 0.72
MAPK1 P28482 1/20 0.72
LMNA P02545 1/20 0.61
HTT P42858 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
EPHX2 P34913 1/20 0.55
ACHE P22303 1/20 0.55
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL9451880 0.96 FKBP1A (0.67) ALDH1A1FKBP1AMAPK1LMNAMEN1
SCHEMBL14895147 0.96 FKBP1A (0.67) ALDH1A1FKBP1AMAPK1LMNAMEN1
SCHEMBL16164040 0.96 FKBP1A (0.67) ALDH1A1FKBP1AMAPK1LMNAMEN1
SCHEMBL14895148 0.96 FKBP1A (0.67) ALDH1A1FKBP1AMAPK1LMNAMEN1
SCHEMBL26616321 0.86 ALDH1A1 (0.66) ALDH1A1FKBP1AMAPK1HTTEPHX2
SCHEMBL15062616 0.84 FKBP1A (1.00) ALDH1A1FKBP1AMAPK1LMNAACHE
SCHEMBL14905830 0.83 FKBP1A (0.74) ALDH1A1FKBP1AMAPK1LMNAMEN1
SCHEMBL26616350 0.82 MMP2 (0.60) ALDH1A1FKBP1AHTTACHEKDM4E
SCHEMBL3720939 0.82 MMP2 (0.60) ALDH1A1FKBP1AHTTACHEKDM4E
SCHEMBL2992157 0.81 ALDH1A1 (0.59) ALDH1A1FKBP1AMAPK1LMNAHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011541-A1 PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-01-08 US disclosed
EP-2797887-A1 PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-11-05 EP disclosed
WO-2013097947-A1 PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-07-04 WO disclosed
EP-2610245-A1 Pipecolate-sulfonamides for treatment of psychiatric disorders Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-07-03 EP 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-20150011541-A1 PIPECOLATE-SULFONAMIDES FOR TREATMENT OF PSYCHIATRIC DISORDERS SYNGR2, SLC18A2, SLC6A3 ALDH1A1 2630/4885FKBP1A 70/4885MAPK1 3692/4885

“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.