SCHEMBL23748823

SCHEMBL23748823

O=C(CNCC(=O)OCc1ccccc1)OCCl

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 1/20 0.56
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
KMT2A Q03164 3/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
CDC25B P30305 1/20 0.47
PLAU P00749 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7695939 0.91 ALDH1A1 (0.66) ALDH1A1L3MBTL1MAPK1CA1CA2
Hydrochloric Acid SCHEMBL8053510 0.90 ALDH1A1 (0.63) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL316883 0.86 CA1 (0.66) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL31174375 0.85 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL3730231 0.84 ALDH1A1 (0.61) ALDH1A1L3MBTL1MAPK1KMT2ASLC6A2
SCHEMBL4073528 0.84 TPSAB1 (0.53) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL1171418 0.84 LMNA (0.56) ALDH1A1L3MBTL1MAPK1KMT2AMEN1
SCHEMBL8404075 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL6518216 0.83 PPID (0.59) ALDH1A1L3MBTL1MAPK1CA1CA2
SCHEMBL26331487 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1CA1CA2

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 1757/4885L3MBTL1 3542/4885MAPK1 3777/4885
US-12030868-B2 Prodrugs of CGRP antagonists CALCRL, CALCA, CALCB ALDH1A1 1757/4885L3MBTL1 3542/4885MAPK1 3777/4885

“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.