SCHEMBL556252

SCHEMBL556252

CCOP(=O)(OCC)C(F)(F)c1ccc(/C(=C\C(=O)O)CC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.40
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.32
PTPN1 P18031 1/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EPHX2 P34913 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
SCHEMBL16069969 0.83 NR4A1 (0.58) PDPK1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL16069970 0.83 NR4A1 (0.58) PDPK1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL16069992 0.83 NR4A1 (0.58) PDPK1NR4A1NR4A2NR4A3ALDH1A1
SCHEMBL8419113 0.79 SRD5A2 (0.45) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL557183 0.79 CA2 (0.44) ALDH1A1SMN1; SMN2MAOBLMNAMEN1
SCHEMBL25306579 0.76 CYP1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A1CYP1B1MAOB
SCHEMBL31250387 0.76 CYP1A1 (0.44) ALDH1A1SMN1; SMN2CYP1A1CYP1B1MAOB
SCHEMBL28915530 0.74 PDPK1 (0.48) PDPK1ALDH1A1TSHRHPGDMEN1
SCHEMBL556251 0.74 NR4A1 (0.41) NR4A1NR4A2NR4A3ALDH1A1TSHR
SCHEMBL556253 0.73 SMN1; SMN2 (0.38) ALDH1A1TSHRSMN1; SMN2LMNAHPGD

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 PDPK1 806/4885NR4A1 1016/4885NR4A2 764/4885

“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.