SCHEMBL15032681

SCHEMBL15032681

C=C(C(=O)CC)c1ccc(OCC(=O)NCCCC[18F])c(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTA1 P08263 9/20 0.49
▸ GSTP1 P09211 9/20 0.49
▸ LMNA P02545 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ ABCC3 O15438 1/20 0.46
▸ PLIN1 O60240 1/20 0.46
▸ HSPD1 P10809 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MAP2K6 P52564 1/20 0.46
▸ HSPE1 P61604 1/20 0.46
▸ GSTO1 P78417 1/20 0.46
▸ PLIN5 Q00G26 1/20 0.46

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
SCHEMBL1524793 0.87 GSTP1 (0.63) GSTA1GSTP1LMNATP53MAPT
SCHEMBL15036301 0.83 GSTP1 (0.46) GSTA1GSTP1LMNATP53MAPT
SCHEMBL15032684 0.83 GSTP1 (0.45) GSTA1GSTP1LMNATP53MAPT
SCHEMBL313295 0.79 GSTP1 (0.63) GSTA1GSTP1LMNATP53MAPT
SCHEMBL1523469 0.77 GSTP1 (0.64) GSTA1GSTP1LMNATP53MAPT
SCHEMBL313019 0.77 GSTP1 (0.67) GSTA1GSTP1LMNATP53MAPT
Ethacrynic Acid Butanamine SCHEMBL10031839 0.75 GSTP1 (0.56) GSTA1GSTP1LMNATP53MAPT
SCHEMBL17104724 0.75 GSTP1 (0.67) GSTA1GSTP1LMNATP53MAPT
SCHEMBL10001140 0.74 GSTP1 (0.57) GSTA1GSTP1LMNATP53MAPT
SCHEMBL27172587 0.73 GSTP1 (0.68) GSTA1GSTP1LMNATP53MAPT

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-20130156701-A1 METHOD OF PREPARING ETHACRYNIC AMIDE DERIVATIVES AND APPLICATION THEREOF NATIONAL TSING HUA UNIVERSITY (TW) 2013-06-20 — — 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-20130156701-A1 METHOD OF PREPARING ETHACRYNIC AMIDE DERIVATIVES AND APPLICATION THEREOF FAP, ALK, PIGO GSTA1 130/4885GSTP1 66/4885LMNA 406/4885

“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.

Send feedback