SCHEMBL10098458

SCHEMBL10098458

CCCCC(N)CCC(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KMT2A Q03164 2/20 0.45
ALOX15 P16050 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
S1PR2 O95136 6/20 0.44
S1PR1 P21453 6/20 0.44
S1PR3 Q99500 6/20 0.44
S1PR4 O95977 4/20 0.44
SOAT1 P35610 2/20 0.44
MEN1 O00255 1/20 0.44
FAAH O00519 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41

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
SCHEMBL16103645 1.00 ALDH1A1 (0.50) ALDH1A1CA1CA2KMT2AALOX15
SCHEMBL997562 0.91 ALDH1A1 (0.60) ALDH1A1CA1CA2KMT2AS1PR2
SCHEMBL7859977 0.86 ALDH1A1 (0.53) ALDH1A1CA1CA2KMT2AALOX15
SCHEMBL18822226 0.86 ALDH1A1 (0.53) ALDH1A1CA1CA2KMT2AALOX15
SCHEMBL10967692 0.85 ALDH1A1 (0.63) ALDH1A1KMT2AS1PR2S1PR1S1PR3
SCHEMBL27299423 0.85 ALDH1A1 (0.48) ALDH1A1CA1CA2KMT2AS1PR2
SCHEMBL5334204 0.84 ALDH1A1 (0.62) ALDH1A1CA1CA2KMT2AALOX15
SCHEMBL30530245 0.83 ALOX15 (0.59) ALDH1A1KMT2AALOX15BLMPMP22
SCHEMBL289085 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AALOX15S1PR2S1PR1
SCHEMBL157617 0.83 ALDH1A1 (0.66) ALDH1A1KMT2AALOX15S1PR2S1PR1

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-8841257-B2 Inhibitors of STAT3 and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-23 US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US disclosed
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US disclosed
WO-2010118309-A2 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2010-10-14 WO 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-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF STAT3, JAK2, STAT6 ALDH1A1 3790/4885CA1 4749/4885CA2 4451/4885

“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.