SCHEMBL556294

SCHEMBL556294

CC(=CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(C(F)(F)P(=O)(OCOC(=O)c2ccccc2Cl)OCOC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRB2 P07550 2/20 0.32
ADRB1 P08588 2/20 0.32
ADRB3 P13945 2/20 0.32
RORC P51449 1/20 0.32
NR4A1 P22736 1/20 0.32
NR4A2 P43354 1/20 0.32
NR4A3 Q92570 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
NTSR1 P30989 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
JAK2 O60674 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
SCHEMBL556293 1.00 TSHR (0.35) TSHRCYP1A2CYP2C19CYP11B1CYP11B2
SCHEMBL16070082 0.87 NR4A1 (0.45) TSHRCYP1A2CYP2C19CYP11B1CYP11B2
SCHEMBL16070080 0.87 NR4A1 (0.45) TSHRCYP1A2CYP2C19CYP11B1CYP11B2
SCHEMBL16070083 0.87 NR4A1 (0.45) TSHRCYP1A2CYP2C19CYP11B1CYP11B2
SCHEMBL557120 0.83 NR4A1 (0.38) NR4A1NR4A2NR4A3ALDH1A1MAPT
SCHEMBL557121 0.83 NR4A1 (0.38) NR4A1NR4A2NR4A3ALDH1A1MAPT
SCHEMBL556709 0.81 TSHR (0.38) TSHRADRB2ADRB1ADRB3NPSR1
SCHEMBL556708 0.73 KMT2A (0.39) CYP1A2CYP2C19MEN1KMT2ALMNA
SCHEMBL556295 0.72 SMN1; SMN2 (0.32) TSHRADRB2ADRB1ADRB3RORC
SCHEMBL557841 0.71 NR4A1 (0.43) CYP11B1CYP11B2NR4A1NR4A2NR4A3

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 TSHR 1358/4885CYP1A2 4782/4885CYP2C19 4634/4885

“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.