SCHEMBL14730616

SCHEMBL14730616

COC(=O)CN(CC(=O)O)c1nc(N(CC(=O)O)CC(=O)O)nc(N(CC(=O)OC)CC(=O)OC)n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 5/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
TP53 P04637 1/20 0.34
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
GSTO1 P78417 1/20 0.32
NR1I2 O75469 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
SCHEMBL1872067 0.92 ALDH1A1 (0.43) ALDH1A1KMT2ATSHRSMN1; SMN2GAA
SCHEMBL13603870 0.85 SMN1; SMN2 (0.48) ALDH1A1KMT2ATSHRSMN1; SMN2TP53
SCHEMBL13611429 0.84 SMN1; SMN2 (0.34) ALDH1A1KMT2ATSHRSMN1; SMN2GSTO1
SCHEMBL13603869 0.84 TDP1 (0.39) ALDH1A1KMT2ASMN1; SMN2NR1I2
SCHEMBL1873292 0.83 TDP1 (0.39) ALDH1A1TSHRSMN1; SMN2HSD17B10
SCHEMBL1866771 0.79 GAA (0.57) ALDH1A1KMT2ASMN1; SMN2GAATP53
SCHEMBL14549323 0.78 CRHR1 (0.35) ALDH1A1TSHRSMN1; SMN2
SCHEMBL1875415 0.75 GAA (0.57) ALDH1A1KMT2ASMN1; SMN2GAATP53
SCHEMBL3841166 0.74 TDP1 (0.44) ALDH1A1KMT2ATSHRSMN1; SMN2NR1I2
SCHEMBL13603867 0.74 BCHE (0.39) ALDH1A1KMT2ATSHRHSD17B10NR1I2

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-20130048564-A1 DRAW SOLUTES, METHODS OF FORMING DRAW SOLUTES, AND METHODS OF USING DRAW SOLUTES TO TREAT AN AQUEOUS LIQUID BATTELLE ENERGY ALLIANCE, LLC (US) 2013-02-28 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-20130048564-A1 DRAW SOLUTES, METHODS OF FORMING DRAW SOLUTES, AND METHODS OF USING DRAW SOLUTES TO TREAT AN AQUEOUS LIQUID SLC1A5, AQP4, AQP1 ALDH1A1 4441/4885KMT2A 4261/4885TSHR 782/4885

“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.