SCHEMBL21186371

SCHEMBL21186371

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.35
ACACB O00763 2/20 0.35
CCR1 P32246 1/20 0.34
CA2 P00918 2/20 0.33
CA1 P00915 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
MAPK1 P28482 1/20 0.31
FPR2 P25090 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HTT P42858 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
SCHEMBL5382170 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1CA2CA1MME
SCHEMBL2581847 0.86 ALDH1A1 (0.56) ALDH1A1L3MBTL1CA2CA1MME
SCHEMBL8356951 0.86 ALDH1A1 (0.40) ALDH1A1L3MBTL1ACACBCCR1CA2
SCHEMBL21186453 0.79 ALDH1A1 (0.35) ALDH1A1L3MBTL1ACACBCCR1
SCHEMBL18756351 0.75 MMP1 (0.45) ALDH1A1ACACBCA2CA1MEN1
SCHEMBL8354598 0.75 ALDH1A1 (0.46) ALDH1A1L3MBTL1CA2CA1TAS1R3
SCHEMBL18771241 0.75 ALDH1A1 (0.46) ALDH1A1L3MBTL1CA2CA1TAS1R3
SCHEMBL12537194 0.75 ALDH1A1 (0.46) ALDH1A1L3MBTL1CA2CA1TAS1R3
SCHEMBL19090742 0.72 CA12 (0.43) ACACBCA2CA1TAS1R3TAS1R1
SCHEMBL18768894 0.72 FAAH (0.47) ALDH1A1MAPK1MEN1KMT2A

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 2 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

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 4812/4885L3MBTL1 1065/4885ACACB 4160/4885
US-20190224348-A1 Granzyme B Directed Imaging and Therapy GZMB, CTSB, PRF1 ALDH1A1 4812/4885L3MBTL1 1065/4885ACACB 4160/4885

“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.