SCHEMBL557122

SCHEMBL557122

CCOP(=O)(OCC)C(F)(F)c1ccc(C(=C(C(=O)O)c2cccc(Cl)c2Cl)C(Cl)(Cl)Cl)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
GPR139 Q6DWJ6 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.33
THRB P10828 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
F2R P25116 1/20 0.33
GAA P10253 2/20 0.32
RORC P51449 1/20 0.32
P2RX7 Q99572 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL556295 0.87 SMN1; SMN2 (0.32) SMN1; SMN2ERCC5FEN1GPR139NPSR1
SCHEMBL556417 0.83 CA1 (0.37) SMN1; SMN2TAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL556710 0.79 RXFP2 (0.36) MAPTRAB9A
SCHEMBL557011 0.72 TSHR (0.41) SMN1; SMN2TAS1R3TAS1R1TAS1R2ERCC5
SCHEMBL8419113 0.72 SRD5A2 (0.45) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL5795784 0.69 PTPN1 (0.48) SMN1; SMN2NPSR1TSHRALDH1A1HPGD
SCHEMBL556253 0.69 SMN1; SMN2 (0.38) SMN1; SMN2TSHRALDH1A1HPGDMEN1
SCHEMBL16069970 0.66 NR4A1 (0.58) SMN1; SMN2TSHRALDH1A1MEN1LMNA
SCHEMBL16069992 0.66 NR4A1 (0.58) SMN1; SMN2TSHRALDH1A1MEN1LMNA
SCHEMBL16069969 0.66 NR4A1 (0.58) SMN1; SMN2TSHRALDH1A1MEN1LMNA

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 4774/4885TAS1R3 3019/4885TAS1R1 3816/4885

“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.