SCHEMBL21602155

SCHEMBL21602155

CCOC(=O)C(=N)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 5/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLO1 Q04760 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
MAPT P10636 1/20 0.36
TRPA1 O75762 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL9397896 0.85 ALDH1A1 (0.50) ALOX15ALDH1A1LMNAHSD17B10NPSR1
Hydrochloric Acid SCHEMBL11261613 0.82 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL22140387 0.82 ALOX15 (0.46) ALOX15ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL22680428 0.80 ALOX15 (0.44) ALOX15ALDH1A1LMNAHSD17B10NPSR1
SCHEMBL208479 0.80
SCHEMBL527427 0.79
SCHEMBL17885227 0.78 ALDH1A1 (0.48) ALOX15ALDH1A1LMNAHSD17B10NPSR1
Bromide SCHEMBL10828447 0.78
SCHEMBL10189245 0.78 GLO1 (0.52) ALOX15ALDH1A1LMNAHSD17B10NPSR1
Hydrochloric Acid SCHEMBL10854392 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 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 (4 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-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALOX15 554/4885ALDH1A1 527/4885LMNA 2684/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALOX15 554/4885ALDH1A1 527/4885LMNA 2684/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALOX15 554/4885ALDH1A1 527/4885LMNA 2684/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALOX15 554/4885ALDH1A1 527/4885LMNA 2684/4885

“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.