SCHEMBL23748824

SCHEMBL23748824

CN(CC(=O)OCCl)C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
PRSS1 P07477 1/20 0.45
TPSAB1 Q15661 1/20 0.45
ABCB1 P08183 2/20 0.44
LMNA P02545 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
CACNA1H O95180 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CCR6 P51684 1/20 0.40

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
SCHEMBL25252134 0.94 ALDH1A1 (0.50) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL9998357 0.87 ALDH1A1 (0.49) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL25787612 0.85 ALDH1A1 (0.50) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL25461074 0.85 ABCB1 (0.55) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL6900506 0.84 ALDH1A1 (0.51) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL6444506 0.83 ALDH1A1 (0.56) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL17688549 0.83 ALDH1A1 (0.55) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL316882 0.83 ALDH1A1 (0.55) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL2182699 0.82 ALDH1A1 (0.50) ALDH1A1MAPTHPGDL3MBTL1MAPK1
SCHEMBL6447135 0.81 ALDH1A1 (0.53) ALDH1A1MAPTHPGDL3MBTL1MAPK1

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
US-12030868-B2 Prodrugs of CGRP antagonists PFIZER IRELAND PHARMACEUTICALS (IE) 2024-07-09 US disclosed
US-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS PFIZER IRELAND PHARMACEUTICALS (IE) 2021-12-23 US disclosed
EP-3863629-A1 PRODRUGS OF CGRP ANTAGONISTS Biohaven Pharmaceutical Holding Company Ltd. (US) 2021-08-18 EP 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-20210395223-A1 PRODRUGS OF CGRP ANTAGONISTS CALCRL, CALCA, CALCB ALDH1A1 1757/4885MAPT 2748/4885HPGD 86/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB ALDH1A1 1757/4885MAPT 2748/4885HPGD 86/4885

“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.