SCHEMBL556253

SCHEMBL556253

CCOP(=O)(OCC)C(F)(F)c1ccc(C(C)=C(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 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
SCHEMBL8419113 0.81 SRD5A2 (0.45) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL557185 0.78 CA2 (0.46) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL16069970 0.77 NR4A1 (0.58) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL16069969 0.77 NR4A1 (0.58) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL16069992 0.77 NR4A1 (0.58) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5795784 0.74 PTPN1 (0.48) SMN1; SMN2ALDH1A1TSHRMEN1KMT2A
SCHEMBL5893048 0.73 RXRA (0.46) ALDH1A1TSHRPTPN1LMNAHPGD
SCHEMBL556251 0.73 NR4A1 (0.41) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
SCHEMBL556252 0.73 PDPK1 (0.40) SMN1; SMN2ALDH1A1TSHRMAPTMEN1
SCHEMBL24984756 0.72 MAPT (0.41) ALDH1A1TSHRMAPTKMT2APTPN1

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 4774/4885ALDH1A1 3790/4885TSHR 1358/4885

“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.