SCHEMBL19733754

SCHEMBL19733754

C#CCOCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.39
ALDH1A1 P00352 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 4/20 0.35
PTGS2 P35354 4/20 0.35
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 2/20 0.33
HSD17B10 Q99714 1/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 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
SCHEMBL19306431 0.97 MGLL (0.44) MGLLALDH1A1TAAR1TSHRSMN1; SMN2
SCHEMBL19727006 0.91 ALDH1A1 (0.34) MGLLALDH1A1TAAR1TSHRSMN1; SMN2
SCHEMBL16172443 0.87 MGLL (0.52) MGLLALDH1A1TSHRSMN1; SMN2HPGD
SCHEMBL19575061 0.87 MGLL (0.44) MGLLALDH1A1TAAR1TSHRSMN1; SMN2
SCHEMBL24621693 0.86 MGLL (0.55) MGLLALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL29869052 0.86 MGLL (0.55) MGLLALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL29441383 0.86 MGLL (0.55) MGLLALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL30259429 0.86 MGLL (0.55) MGLLALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL10018583 0.86 MGLL (0.55) MGLLALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL29869032 0.86 MGLL (0.55) MGLLALDH1A1SMN1; SMN2HPGDHTT

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-20230287030-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2023-09-14 US disclosed
US-20170362266-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions THE GENERAL HOSPITAL CORPORATION 2017-12-21 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 (2 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-20170362266-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 MGLL 830/4885ALDH1A1 437/4885TAAR1 1135/4885
US-20230287030-A1 Metabolic labeling and molecular enhancement of biological materials using bioorthogonal reactions GALNT14, NEU4, CSGALNACT1 MGLL 830/4885ALDH1A1 437/4885TAAR1 1135/4885

“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.