SCHEMBL21241444

SCHEMBL21241444

COc1cc(OC(=O)C2CCCN2C(=O)OCc2ccccc2)cc(OC)c1OC

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.65
TP53 P04637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
PREP P48147 4/20 0.57
FKBP1A P62942 2/20 0.56
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KLK7 P49862 1/20 0.52
KLK5 Q9Y337 1/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CTRB1 P17538 1/20 0.51
GFER P55789 1/20 0.51

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
SCHEMBL21241597 0.87 FKBP1A (0.65) ALDH1A1TP53NPSR1MEN1KMT2A
SCHEMBL21241496 0.87 FKBP1A (0.65) ALDH1A1TP53NPSR1MEN1KMT2A
SCHEMBL21241274 0.85 FKBP1A (0.65) ALDH1A1TP53MEN1KMT2AFKBP1A
SCHEMBL22861564 0.85 FKBP1A (0.65) ALDH1A1TP53MEN1KMT2AFKBP1A
SCHEMBL21241503 0.83 FKBP1A (0.61) ALDH1A1TP53NPSR1MEN1KMT2A
SCHEMBL21241601 0.83 FKBP1A (0.61) ALDH1A1TP53NPSR1MEN1KMT2A
SCHEMBL21241599 0.82 FKBP1A (0.69) FKBP1A
SCHEMBL21241498 0.82 FKBP1A (0.69) FKBP1A
SCHEMBL28869055 0.82 PREP (0.60) ALDH1A1TP53NPSR1MEN1KMT2A
SCHEMBL28869056 0.82 PREP (0.60) ALDH1A1TP53NPSR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3746440-B1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME UNIV TEXAS (US) 2023-07-05 EP disclosed
US-11345659-B2 Pipecolic esters for inhibition of the proteasome BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-05-31 US disclosed
US-20210002220-A1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2021-01-07 US disclosed
WO-2019152527-A1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-08-08 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-11345659-B2 Pipecolic esters for inhibition of the proteasome PSMG3, PSME3, PSMC1 ALDH1A1 4172/4885TP53 90/4885NPSR1 4371/4885
US-20210002220-A1 PIPECOLIC ESTERS FOR INHIBITION OF THE PROTEASOME PSMG3, PSME3, PSMC1 ALDH1A1 4172/4885TP53 90/4885NPSR1 4371/4885

“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.