SCHEMBL556786

SCHEMBL556786

O=C(O)C=Cc1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.61
ATM Q13315 1/20 0.61
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
HCAR2 Q8TDS4 2/20 0.53
CA12 O43570 2/20 0.53
AKR1B10 O60218 2/20 0.53
CA3 P07451 2/20 0.53
AKR1B1 P15121 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
DPP4 P27487 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
ESR1 P03372 1/20 0.53
PKM P14618 1/20 0.53
TYR P14679 1/20 0.53

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
SCHEMBL28412768 0.85 F3 (0.61) HCAR2TYRHDAC3HDAC4HDAC1
SCHEMBL557029 0.84 SRC (0.46) THRBATMCA1CA2ESR1
SCHEMBL9019350 0.81 SRC (0.67) CA1CA2HDAC1SRCKMT2A
SCHEMBL5069443 0.80 ESR1 (0.75) ESR1ESR2
SCHEMBL14081549 0.78 HCAR2 (0.81) THRBATMCA1CA2HCAR2
SCHEMBL713717 0.78 HCAR2 (0.81) THRBATMCA1CA2HCAR2
SCHEMBL68395 0.78 HCAR2 (0.81) THRBATMCA1CA2HCAR2
SCHEMBL6951492 0.78 KDM4E (0.50) THRBCA1CA2CA12CA3
SCHEMBL6679336 0.78 THRB (0.55) THRBATMCA1CA2HCAR2
SCHEMBL6679337 0.78 THRB (0.55) THRBATMCA1CA2HCAR2

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 THRB 318/4885ATM 1028/4885CA1 4749/4885

“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.