SCHEMBL8354598

SCHEMBL8354598

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
MME P08473 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
FPR2 P25090 2/20 0.35
ATM Q13315 1/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
CA2 P00918 2/20 0.33
ANPEP P15144 1/20 0.33
CA1 P00915 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL12537194 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18771241 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL21186272 0.88 MEN1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL8354230 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18771471 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL18771491 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL19776964 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL12372143 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL23084126 0.83 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL9502850 0.83 ALDH1A1 (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1

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-11559590-B2 Granzyme B directed imaging and therapy THE GENERAL HOSPITAL CORPORATION (US) 2023-01-24 US disclosed
US-20190224348-A1 Granzyme B Directed Imaging and Therapy THE GENERAL HOSPITAL CORPORATION 2019-07-25 US disclosed
WO-2003065987-A2 GRANZYME B INHIBITORS MERCK & CO., INC. (US) 2003-08-14 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-11559590-B2 Granzyme B directed imaging and therapy GZMB, CTSB, PRF1 ALDH1A1 4812/4885MEN1 507/4885KMT2A 4798/4885
US-20190224348-A1 Granzyme B Directed Imaging and Therapy GZMB, CTSB, PRF1 ALDH1A1 4812/4885MEN1 507/4885KMT2A 4798/4885

“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.