SCHEMBL25697201

SCHEMBL25697201

CCC(=O)[C@@H](O)C[C@H](C)CC(C)C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 6/20 0.37
ALDH1A1 P00352 2/20 0.33
RNPEP Q9H4A4 1/20 0.33
SLC7A5 Q01650 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
PSMB8 P28062 1/20 0.31

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
SCHEMBL105904 0.88 TSHR (0.38) PSMB5ALDH1A1RNPEPSLC7A5TSHR
SCHEMBL1782638 0.76 ALDH1A1 (0.40) PSMB5ALDH1A1RNPEPSLC7A5MEN1
SCHEMBL28090514 0.74 TSHR (0.35) TSHR
SCHEMBL15782448 0.72 TSHR (0.39) ALDH1A1RNPEPSLC7A5TSHRLMNA
SCHEMBL706865 0.72 TSHR (0.39) ALDH1A1RNPEPSLC7A5TSHRLMNA
SCHEMBL16203065 0.72 TSHR (0.39) ALDH1A1RNPEPSLC7A5TSHRLMNA
SCHEMBL14084266 0.72 TSHR (0.39) ALDH1A1RNPEPSLC7A5TSHRLMNA
SCHEMBL1296613 0.71 CA1 (0.37) ALDH1A1TSHR
SCHEMBL12570564 0.70 RNPEP (0.39) PSMB5ALDH1A1RNPEPSLC7A5
SCHEMBL107969 0.70 PSMB5 (0.40) PSMB5RNPEPSLC7A5TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. 2023-06-15 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 (1 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-20230183216-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES PIR, CYP3A43, CYP1A2 PSMB5 4216/4885ALDH1A1 401/4885RNPEP 3348/4885

“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.