SCHEMBL21462579

SCHEMBL21462579

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
MTNR1A P48039 6/20 0.32
MTNR1B P49286 6/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS2 P35354 1/20 0.32
THPO P40225 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
FOLH1 Q04609 2/20 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
SCHEMBL18117431 1.00 ALDH1A1 (0.48) ALDH1A1TDP1CYP2D6CYP2C19MTNR1A
SCHEMBL21462580 1.00 ALDH1A1 (0.48) ALDH1A1TDP1CYP2D6CYP2C19MTNR1A
SCHEMBL25276694 0.89 ALDH1A1 (0.39) ALDH1A1TDP1CYP2D6CYP2C19
SCHEMBL1668685 0.82 ALDH1A1 (0.50) ALDH1A1TDP1MTNR1AMTNR1BKDM4E
SCHEMBL6249964 0.82 SLC22A6 (0.39) ALDH1A1TDP1CYP2D6CYP2C19MAPT
SCHEMBL11780257 0.81 GRN (0.37) ALDH1A1TDP1CYP2D6CYP2C19MTNR1A
SCHEMBL20550825 0.78 CYP2D6 (0.36) ALDH1A1CYP2D6CYP2C19NPC1RAB9A
SCHEMBL20970384 0.76 CYP2C9 (0.45) ALDH1A1TDP1SMN1; SMN2LMNAMMP1
SCHEMBL23445656 0.76 ALDH1A1 (0.56) ALDH1A1TDP1CYP2D6CYP2C19RAB9A
SCHEMBL20189493 0.76 ATM (0.36) CYP2D6CYP2C19NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287003-A1 BCL6 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-14 US disclosed
EP-4201939-A1 BCL6 INHIBITORS Cancer Research Technology Limited (GB) 2023-06-28 EP disclosed
EP-3774817-B1 BCL6 INHIBITORS CANCER RESEARCH TECH LTD (GB) 2022-12-07 EP disclosed
US-20210163497-A1 BCL6 INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2021-06-03 US disclosed
EP-3774817-A1 BCL6 INHIBITORS Cancer Research Technology Limited (GB) 2021-02-17 EP disclosed
WO-2019197842-A1 BCL6 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-17 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-20210163497-A1 BCL6 INHIBITORS BCL6, BCL6B, BCL3 ALDH1A1 2602/4885TDP1 2693/4885CYP2D6 1977/4885
US-20230287003-A1 BCL6 INHIBITORS BCL6, BCL6B, BCL3 ALDH1A1 2602/4885TDP1 2693/4885CYP2D6 1977/4885

“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.