SCHEMBL21055737

SCHEMBL21055737

O=C(O)CC(=O)NNc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.63
CYP3A4 P08684 1/20 0.57
TSHR P16473 1/20 0.57
PTGS2 P35354 2/20 0.55
GAA P10253 11/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
F2 P00734 1/20 0.48
ALOX12 P18054 1/20 0.47
CYP2C19 P33261 1/20 0.47
CTSD P07339 1/20 0.46
TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL28067312 0.98 ALOX5 (0.61) ALOX5CYP3A4TSHRPTGS2GAA
SCHEMBL13042440 0.91 ALOX5 (0.68) ALOX5CYP3A4TSHRPTGS2GAA
SCHEMBL11416924 0.83 ALOX5 (0.65) ALOX5CYP3A4TSHRPTGS2GAA
SCHEMBL491040 0.83 ALOX5 (0.70) ALOX5CYP3A4TSHRPTGS2GAA
SCHEMBL5455720 0.82 GAA (0.61) ALOX5CYP3A4GAASMN1; SMN2ALDH1A1
SCHEMBL20711457 0.82 ALOX5 (0.58) ALOX5CYP3A4TSHRPTGS2GAA
SCHEMBL5444741 0.82 GAA (0.68) ALOX5GAASMN1; SMN2ALDH1A1KDM4E
SCHEMBL5451366 0.82 PTGS2 (0.56) ALOX5CYP3A4TSHRPTGS2GAA
SCHEMBL1531488 0.81 ALOX5 (0.72) ALOX5CYP3A4TSHRPTGS2GAA
SCHEMBL22026670 0.81 ALOX5 (0.61) ALOX5CYP3A4TSHRPTGS2GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3720295-A2 TRYPTOPHAN DERIVATIVES AS SWEETENERS Chromocell Corporation (US) 2020-10-14 EP disclosed
US-20200297015-A1 TRYPTOPHAN DERIVATIVES AS SWEETENERS CHROMOCELL CORPORATION (US) 2020-09-24 US disclosed
WO-2019113443-A2 TRYPTOPHAN DERIVATIVES AS SWEETENERS CHROMOCELL CORPORATION (US) 2019-06-13 WO 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-20200297015-A1 TRYPTOPHAN DERIVATIVES AS SWEETENERS TPH1, TPH2, SLC6A4 ALOX5 2324/4885CYP3A4 1836/4885TSHR 3275/4885

“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.