SCHEMBL10098451

SCHEMBL10098451

NC(=O)OCC(N)COCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.54
CYP1A2 P05177 2/20 0.51
CYP2D6 P10635 2/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TACR1 P25103 3/20 0.49
CA1 P00915 3/20 0.46
LMNA P02545 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
HTT P42858 1/20 0.44
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL16103748 1.00 SLC1A1 (0.54) SLC1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL18394417 0.84 TACR1 (0.63) SLC1A1TACR1CA1CA2CA7
SCHEMBL28625595 0.84 CA1 (0.58) SLC1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL28625596 0.84 CA1 (0.58) SLC1A1CYP1A2CYP2D6PKMSMN1; SMN2
SCHEMBL16103417 0.83 SLC1A1 (0.52) SLC1A1CYP1A2CYP2D6TACR1CA1
SCHEMBL10098462 0.83 SLC1A1 (0.52) SLC1A1CYP1A2CYP2D6TACR1CA1
Solriamfetol SCHEMBL42525 0.81 PKM (0.56) SLC1A1CYP1A2CYP2D6PKMSMN1; SMN2
Solriamfetol SCHEMBL30929349 0.81 PKM (0.56) SLC1A1CYP1A2CYP2D6PKMSMN1; SMN2
Solriamfetol SCHEMBL30929348 0.81 PKM (0.56) SLC1A1CYP1A2CYP2D6PKMSMN1; SMN2
Solriamfetol SCHEMBL2739637 0.81 PKM (0.56) SLC1A1CYP1A2CYP2D6PKMSMN1; SMN2

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-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
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 SLC1A1 3980/4885CYP1A2 4782/4885CYP2D6 3294/4885

“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.