SCHEMBL17375357

SCHEMBL17375357

C=CCC[C@H](N)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ IDO1 P14902 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ SLC1A1 P43005 4/20 0.44
▸ SLC1A3 P43003 3/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ LTA4H P09960 2/20 0.43
▸ SLC15A1 P46059 1/20 0.43
▸ LAP3 P28838 1/20 0.43
▸ SLC1A2 P43004 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL14517178 0.86 KMT2A (0.49) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL12873771 0.86 KMT2A (0.49) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL8844067 0.85 KMT2A (0.47) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL27533978 0.84 ALDH1A1 (0.47) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL8257115 0.84 ALDH1A1 (0.47) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL28168230 0.84 ALDH1A1 (0.47) KMT2ASLC6A2SLC6A3TDP1ALDH1A1
SCHEMBL28168087 0.83 ALDH1A1 (0.46) KMT2ASLC6A2SLC6A3TDP1ALDH1A1
Hydrochloric Acid SCHEMBL2528757 0.83 IDO1 (0.46) KMT2ASLC6A2SLC6A3TDP1IDO1
Hydrochloric Acid SCHEMBL27697735 0.83 IDO1 (0.46) KMT2ASLC6A2SLC6A3TDP1IDO1
SCHEMBL7667985 0.83 ALDH1A1 (0.49) KMT2ASLC6A2SLC6A3TDP1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556119-B2 Process for preparing desmosine, isodesmosine, and derivatives thereof SOPHIA SCHOOL CORPORATION (JP) 2017-01-31 — — US disclosed
US-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SOPHIA SCHOOL CORPORATION (JP) 2015-12-31 — — 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-20150376127-A1 PROCESS FOR PREPARING DESMOSINE, ISODESMOSINE, AND DERIVATIVES THEREOF SI, SMS, SRM KMT2A 439/4885SLC6A2 678/4885SLC6A3 387/4885

“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