SCHEMBL557010

SCHEMBL557010

CC(=CC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(O[PH2]=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.34
LTB4R2 Q9NPC1 7/20 0.34
ESR1 P03372 1/20 0.31
KMT2A Q03164 2/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
NR4A3 Q92570 1/20 0.31
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
MEN1 O00255 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL557009 1.00 LTB4R (0.34) LTB4RLTB4R2ESR1KMT2ACYP11B1
SCHEMBL557841 0.79 NR4A1 (0.43) CYP11B1CYP11B2NR4A1NR4A2NR4A3
SCHEMBL557077 0.76 NR4A1 (0.51) LTB4RLTB4R2ESR1NR4A1NR4A2
SCHEMBL556415 0.76 CA1 (0.41) LTB4RLTB4R2KMT2AHPGDMEN1
SCHEMBL556416 0.76 CA1 (0.41) LTB4RLTB4R2KMT2AHPGDMEN1
SCHEMBL28399503 0.69 CES2 (0.44) MAPTRAB9A
SCHEMBL557120 0.68 NR4A1 (0.38) NR4A1NR4A2NR4A3MAPTSMN1; SMN2
SCHEMBL557121 0.68 NR4A1 (0.38) NR4A1NR4A2NR4A3MAPTSMN1; SMN2
SCHEMBL28393611 0.66 SMN1; SMN2 (0.45) KMT2ANR4A1NR4A2NR4A3MAPT
SCHEMBL11438214 0.65 MAOB (0.49) KMT2AMAPTHPGDRAB9ASMN1; 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 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 LTB4R 2313/4885LTB4R2 2514/4885ESR1 1785/4885

“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.