SCHEMBL556295

SCHEMBL556295

O=C(O)C(=C(c1ccc(C(F)(F)P(=O)(OCOC(=O)c2ccccc2Cl)OCOC(=O)c2ccccc2Cl)cc1)C(Cl)(Cl)Cl)c1cccc(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.32
TRPV1 Q8NER1 2/20 0.32
ATM Q13315 1/20 0.32
RORC P51449 1/20 0.32
RAB9A P51151 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
HPGD P15428 2/20 0.32
NPC1 O15118 2/20 0.32
GAA P10253 2/20 0.32
PKM P14618 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
P2RX7 Q99572 1/20 0.32
GPR139 Q6DWJ6 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
ALOX12 P18054 1/20 0.31
TSHR P16473 1/20 0.31
ADRB2 P07550 1/20 0.31

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
SCHEMBL557122 0.87 SMN1; SMN2 (0.36) SMN1; SMN2RORCRAB9AL3MBTL1HPGD
SCHEMBL556710 0.79 RXFP2 (0.36) RAB9ANPC1MAPTTDP1
SCHEMBL16070080 0.76 NR4A1 (0.45) SMN1; SMN2TRPV1RAB9AL3MBTL1NPC1
SCHEMBL16070083 0.76 NR4A1 (0.45) SMN1; SMN2TRPV1RAB9AL3MBTL1NPC1
SCHEMBL16070082 0.76 NR4A1 (0.45) SMN1; SMN2TRPV1RAB9AL3MBTL1NPC1
SCHEMBL556293 0.72 TSHR (0.35) TRPV1RORCRAB9ANPC1GAA
SCHEMBL556294 0.72 TSHR (0.35) TRPV1RORCRAB9ANPC1GAA
SCHEMBL556417 0.72 CA1 (0.37) SMN1; SMN2L3MBTL1GAAP2RX7GPR139
SCHEMBL557011 0.69 TSHR (0.41) SMN1; SMN2ATMRAB9AL3MBTL1HPGD
SCHEMBL21953836 0.61 CES2 (0.52) SMN1; SMN2RAB9AL3MBTL1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035114-A1 INHIBITORS OF STAT3 AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-02-09 US 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 SMN1; SMN2 4774/4885TRPV1 4141/4885ATM 1028/4885

“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.