SCHEMBL10098462

SCHEMBL10098462

NC(=O)CCC(N)COCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 3/20 0.52
TACR1 P25103 3/20 0.47
FOLH1 Q04609 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
SLC1A3 P43003 2/20 0.43
SLC1A2 P43004 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
LTA4H P09960 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
SCHEMBL16103417 1.00 SLC1A1 (0.52) SLC1A1TACR1FOLH1CA1CA2
SCHEMBL1162622 0.89 FOLH1 (0.58) SLC1A1TACR1FOLH1CA1CA2
SCHEMBL21919739 0.85 ALDH1A1 (0.50) SLC1A1TACR1FOLH1CA1CA2
SCHEMBL1769538 0.83 FOLH1 (0.52) SLC1A1TACR1FOLH1CA1CA2
SCHEMBL10098451 0.83 SLC1A1 (0.54) SLC1A1TACR1CA1CA2CA7
SCHEMBL16103748 0.83 SLC1A1 (0.54) SLC1A1TACR1CA1CA2CA7
SCHEMBL18394417 0.79 TACR1 (0.63) SLC1A1TACR1CA1CA2CA7
SCHEMBL29478374 0.79 SLC1A1 (0.56) SLC1A1TACR1FOLH1CA1CA2
SCHEMBL288960 0.79 SLC1A1 (0.56) SLC1A1TACR1FOLH1CA1CA2
SCHEMBL5845223 0.79 SLC1A1 (0.56) SLC1A1TACR1FOLH1CA1CA2

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 SLC1A1 3980/4885TACR1 3883/4885FOLH1 3142/4885

“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.