SCHEMBL23513614

SCHEMBL23513614

CC(C)NC(C(=O)O)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MAPT P10636 1/20 0.30
PTGS1 P23219 1/20 0.30

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
SCHEMBL25453253 0.83 CA2 (0.35) ALDH1A1TP53TDP1MAPTPTGS1
SCHEMBL14011640 0.83 CA2 (0.35) ALDH1A1TP53TDP1MAPTPTGS1
SCHEMBL15592774 0.83 CA2 (0.35) ALDH1A1TP53TDP1MAPTPTGS1
SCHEMBL28528975 0.79 ALDH1A1 (0.43) ALDH1A1TP53TDP1MAPTPTGS1
SCHEMBL31094181 0.79 ALDH1A1 (0.43) ALDH1A1TP53TDP1MAPTPTGS1
SCHEMBL20088239 0.76 TP53 (0.33) TP53TDP1
SCHEMBL2089231 0.75 ALDH1A1 (0.36) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL28474948 0.75 ALDH1A1 (0.36) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL28474945 0.75 ALDH1A1 (0.36) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL2089233 0.75 ALDH1A1 (0.36) ALDH1A1TP53TSHRMAPTPTGS1

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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION Jubilant Prodel LLC 2021-06-17 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-20210179580-A1 PYRIMIDINE DERIVATIVES AS INHIBITORS OF PD1/PD-L1 ACTIVATION PDCD1, CD274, PDCD1LG2 ALDH1A1 37/4885TP53 51/4885TSHR 1896/4885

“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.