SCHEMBL13554194

SCHEMBL13554194

CCN[S+]([O-])Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ALPL P05186 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.37
APP P05067 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL14930167 0.83 TP53 (0.44) TP53CYP3A4MAPTKDM4EHTT
SCHEMBL28665142 0.83 IDO1 (0.44) CYP3A4MAPTKDM4EHTTGAA
SCHEMBL10133107 0.75 RAB9A (0.47) HTTSMN1; SMN2MEN1KMT2A
SCHEMBL13551811 0.73 LMNA (0.39) TP53CYP3A4MAPTKDM4EHTT
SCHEMBL13888911 0.73 LMNA (0.49) TP53MAPTKDM4EHTTGAA
SCHEMBL777260 0.71 TP53 (0.46) TP53CYP3A4MAPTKDM4EIDO1
SCHEMBL24590520 0.71 HPGD (0.47) TP53CYP3A4MAPTKDM4EGAA
SCHEMBL27900484 0.71 EPHX2 (0.42) TP53CYP3A4MAPTKDM4EHTT
SCHEMBL40995 0.70 TP53 (0.43) TP53CYP3A4MAPTKDM4ESIGMAR1
Ethane SCHEMBL7199050 0.70 TP53 (0.43) TP53CYP3A4MAPTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270877-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2012-10-25 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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-20120270877-A1 IRE-1alpha INHIBITORS XBP1, ERN1, ATF4 TP53 1373/4885CYP3A4 3782/4885MAPT 3426/4885

“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.