SCHEMBL14511069

SCHEMBL14511069

O=C(CNC(=O)OI)COC(=O)c1c(C(F)(F)F)cccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.50
KMT2A Q03164 5/20 0.41
HTT P42858 1/20 0.39
ELANE P08246 1/20 0.39
HPGD P15428 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL12716163 0.84 TXNRD1 (0.52) TXNRD1KMT2AHTTELANEHPGD
SCHEMBL4740792 0.82 TXNRD1 (0.56) TXNRD1KMT2AHTTELANEHPGD
SCHEMBL1616096 0.75 TXNRD1 (0.53) TXNRD1HTTLMNA
SCHEMBL14511071 0.74 TXNRD1 (0.45) TXNRD1
SCHEMBL12716307 0.72 TXNRD1 (0.50) TXNRD1
SCHEMBL14511070 0.70 CTSB (0.48) TXNRD1
SCHEMBL16638891 0.70 TXNRD1 (0.67) TXNRD1KMT2AHTTELANEHPGD
SCHEMBL1998230 0.70 CA12 (0.59) TXNRD1ELANEHPGDKDM4EL3MBTL1
SCHEMBL14511068 0.68 TXNRD1 (0.46) TXNRD1ALDH1A1THRB
SCHEMBL1994212 0.67 CA12 (0.55) TXNRD1ELANEHPGDKDM4EALDH1A1

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-20070141624-A1 ACTIVITY-BASED PROBES AND METHODS OF THEIR PREPARATION ANS USE ACTIVX BIOSCIENCES, INC. 2007-06-21 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-20070141624-A1 ACTIVITY-BASED PROBES AND METHODS OF THEIR PREPARATION ANS USE DNPEP, CTRL, ARSA TXNRD1 2552/4885KMT2A 3310/4885HTT 1760/4885

“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.