SCHEMBL22750002

SCHEMBL22750002

CC(C)(C)C(N)C(=O)O.[PbH2]

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
PTGS1 P23219 2/20 0.59
MAPT P10636 1/20 0.59
SLC7A5 Q01650 2/20 0.46
DPP4 P27487 7/20 0.39
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
GRIK1 P39086 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
SLC7A11 Q9UPY5 1/20 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
SCHEMBL6688 0.97
SCHEMBL7396758 0.97 ALDH1A1 (0.62) ALDH1A1PTGS1MAPTSLC7A5DPP4
SCHEMBL1183636 0.97
SCHEMBL6433 0.97
Hydrochloric Acid SCHEMBL29448819 0.94 ALDH1A1 (0.59) ALDH1A1PTGS1MAPTSLC7A5DPP4
Hydrochloric Acid SCHEMBL2852111 0.94 ALDH1A1 (0.59) ALDH1A1PTGS1MAPTSLC7A5DPP4
Hydrochloric Acid SCHEMBL158225 0.94 ALDH1A1 (0.59) ALDH1A1PTGS1MAPTSLC7A5DPP4
Ammonia Solution, Strong SCHEMBL28108684 0.94 ALDH1A1 (0.59) ALDH1A1PTGS1MAPTSLC7A5DPP4
Acetic Acid SCHEMBL28270661 0.92 ALDH1A1 (0.56) ALDH1A1PTGS1MAPTSLC7A5DPP4
Alanine SCHEMBL28074362 0.89 ALDH1A1 (0.54) ALDH1A1PTGS1MAPTSLC7A5DPP4

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-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 US disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 US disclosed
WO-2020247736-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIVERSITY OF MASSACHUSETTS (US) 2020-12-10 WO 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-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 ALDH1A1 1277/4885PTGS1 1773/4885MAPT 2763/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 ALDH1A1 1277/4885PTGS1 1773/4885MAPT 2763/4885

“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.